PubChemLite - 1,2-anhydridoniveusin (C20H24O7)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C(=O)OC1CC2(C=CC(O2)(/C(=C/C3C1C(=C)C(=O)O3)/CO)O)C

InChI

InChI=1S/C20H24O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h5-8,14-16,21,24H,3,9-10H2,1-2,4H3/b11-5+,13-8+

InChIKey

ZXQIVEHVNKQIIU-PZLJUMJASA-N

Compound name

[(2E)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (E)-2-methylbut-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	377.15948	216.7
[M+Na]+	399.14142	216.3
[M-H]-	375.14492	215.6
[M+NH4]+	394.18602	215.8
[M+K]+	415.11536	214.7
[M+H-H2O]+	359.14946	207.2
[M+HCOO]-	421.15040	216.0
[M+CH3COO]-	435.16605	216.1
[M+Na-2H]-	397.12687	216.0
[M]+	376.15165	215.7
[M]-	376.15275	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.15948

216.7

[M+Na]+

399.14142

216.3

[M-H]-

375.14492

215.6

[M+NH4]+

394.18602

215.8

[M+K]+

415.11536

214.7

[M+H-H2O]+

359.14946

207.2

[M+HCOO]-

421.15040

216.0

[M+CH3COO]-

435.16605

216.1

[M+Na-2H]-

397.12687

216.0

[M]+

376.15165

215.7

[M]-

376.15275

215.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,2-anhydridoniveusin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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