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	200.0
[M+Na]+	399.14142	200.8
[M+NH4]+	394.18602	200.8
[M+K]+	415.11536	198.8
[M-H]-	375.14492	199.8
[M+Na-2H]-	397.12687	197.7
[M]+	376.15165	200.1
[M]-	376.15275	200.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.15948

200.0

[M+Na]+

399.14142

200.8

[M+NH4]+

394.18602

200.8

[M+K]+

415.11536

198.8

[M-H]-

375.14492

199.8

[M+Na-2H]-

397.12687

197.7

[M]+

376.15165

200.1

[M]-

376.15275

200.1

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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