CID 165943467

6-hydroxy-3,4-dihydro-1h-2-benzopyran-1-carboxylic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
C1COC(C2=C1C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C10H10O4/c11-7-1-2-8-6(5-7)3-4-14-9(8)10(12)13/h1-2,5,9,11H,3-4H2,(H,12,13)
InChIKey
SMLYYKPQXDQIKW-UHFFFAOYSA-N
Compound name
6-hydroxy-3,4-dihydro-1H-isochromene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.2
[M+Na]+ 217.04712 144.5
[M-H]- 193.05062 139.8
[M+NH4]+ 212.09172 155.0
[M+K]+ 233.02106 143.3
[M+H-H2O]+ 177.05516 131.9
[M+HCOO]- 239.05610 154.6
[M+CH3COO]- 253.07175 178.1
[M+Na-2H]- 215.03257 143.7
[M]+ 194.05735 135.6
[M]- 194.05845 135.6
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

No patent data available for this compound.