CID 72802059

Ns00116982

Structural Information

Molecular Formula

C₁₉H₂₀O₆

SMILES

CC1C(O1)(C)C(=O)OC2CC3=C(C=C4C(=C3)C=CC(=O)O4)OC2(C)C

InChI

InChI=1S/C19H20O6/c1-10-19(4,24-10)17(21)23-15-8-12-7-11-5-6-16(20)22-13(11)9-14(12)25-18(15,2)3/h5-7,9-10,15H,8H2,1-4H3

InChIKey

VYFAOJIJWKADAF-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2,3-dimethyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 344.12598 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

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]+	345.133256	178.4
[M+Na]+	367.115198	190.3
[M-H]-	343.118704	190.1
[M+NH4]+	362.159803	189.4
[M+K]+	383.089138	192.5
[M+H-H2O]+	327.123240	171.5
[M+HCOO]-	389.124181	192.5
[M+CH3COO]-	403.139831	215.4
[M+Na-2H]-	365.100646	185.6
[M]+	344.12543142	188.9
[M]-	344.12652858	188.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.