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]+ 195.065176 137.2
[M+Na]+ 217.047118 144.5
[M-H]- 193.050624 139.8
[M+NH4]+ 212.091723 155.0
[M+K]+ 233.021058 143.3
[M+H-H2O]+ 177.055160 131.9
[M+HCOO]- 239.056101 154.6
[M+CH3COO]- 253.071751 178.1
[M+Na-2H]- 215.032566 143.7
[M]+ 194.05735142 135.6
[M]- 194.05844858 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.