CID 68475

4-hydroxy-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=C(C=CC(=C1)O)C(=O)O
InChI
InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

6388
Patents

152.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 127.6
[M+Na]+ 175.03657 136.5
[M-H]- 151.04007 129.4
[M+NH4]+ 170.08117 147.8
[M+K]+ 191.01051 134.5
[M+H-H2O]+ 135.04461 123.0
[M+HCOO]- 197.04555 149.4
[M+CH3COO]- 211.06120 171.4
[M+Na-2H]- 173.02202 132.8
[M]+ 152.04680 127.2
[M]- 152.04790 127.2
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