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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 178.4
[M+Na]+ 367.11520 190.3
[M-H]- 343.11870 190.1
[M+NH4]+ 362.15980 189.4
[M+K]+ 383.08914 192.5
[M+H-H2O]+ 327.12324 171.5
[M+HCOO]- 389.12418 192.5
[M+CH3COO]- 403.13983 215.4
[M+Na-2H]- 365.10065 185.6
[M]+ 344.12543 188.9
[M]- 344.12653 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.