CID 11344187

2-(4-formylphenyl)acetic acid

Structural Information

Molecular Formula
C9H8O3
SMILES
C1=CC(=CC=C1CC(=O)O)C=O
InChI
InChI=1S/C9H8O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12)
InChIKey
AGPZPJHWVWZCMG-UHFFFAOYSA-N
Compound name
2-(4-formylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

164.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 132.5
[M+Na]+ 187.03657 144.7
[M+NH4]+ 182.08117 140.0
[M+K]+ 203.01051 139.3
[M-H]- 163.04007 133.2
[M+Na-2H]- 185.02202 138.5
[M]+ 164.04680 134.2
[M]- 164.04790 134.2
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