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

16
Patents

206.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.9
[M+Na]+ 229.04712 147.5
[M-H]- 205.05062 143.8
[M+NH4]+ 224.09172 157.9
[M+K]+ 245.02106 146.3
[M+H-H2O]+ 189.05516 134.2
[M+HCOO]- 251.05610 158.7
[M+CH3COO]- 265.07175 182.8
[M+Na-2H]- 227.03257 146.4
[M]+ 206.05735 139.8
[M]- 206.05845 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