CID 3055698

2h-1-benzopyran-6-acetic acid, 3,4-dihydro-4-oxo-

Structural Information

Molecular Formula
C11H10O4
SMILES
C1COC2=C(C1=O)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H10O4/c12-9-3-4-15-10-2-1-7(5-8(9)10)6-11(13)14/h1-2,5H,3-4,6H2,(H,13,14)
InChIKey
WCSYPSLAPJKCFG-UHFFFAOYSA-N
Compound name
2-(4-oxo-2,3-dihydrochromen-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 139.9
[M+Na]+ 229.047118 147.5
[M-H]- 205.050624 143.8
[M+NH4]+ 224.091723 157.9
[M+K]+ 245.021058 146.3
[M+H-H2O]+ 189.055160 134.2
[M+HCOO]- 251.056101 158.7
[M+CH3COO]- 265.071751 182.8
[M+Na-2H]- 227.032566 146.4
[M]+ 206.05735142 139.8
[M]- 206.05844858 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe