CID 11920

2-(hydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
C1=CC=C(C(=C1)CO)C(=O)O
InChI
InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
MGMNPSAERQZUIM-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1861
Patents

152.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 129.3
[M+Na]+ 175.03657 141.1
[M+NH4]+ 170.08117 136.9
[M+K]+ 191.01051 136.3
[M-H]- 151.04007 129.8
[M+Na-2H]- 173.02202 135.1
[M]+ 152.04680 130.9
[M]- 152.04790 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe