CID 93965

2-hydroxy-4,5-dimethylbenzoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC(=C(C=C1C)O)C(=O)O
InChI
InChI=1S/C9H10O3/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4,10H,1-2H3,(H,11,12)
InChIKey
VFIVMIIQIYPVCM-UHFFFAOYSA-N
Compound name
2-hydroxy-4,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

166.06299 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.0
[M+Na]+ 189.05221 145.4
[M+NH4]+ 184.09681 140.5
[M+K]+ 205.02615 140.8
[M-H]- 165.05571 133.6
[M+Na-2H]- 187.03766 138.1
[M]+ 166.06244 134.8
[M]- 166.06354 134.8
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