CID 14048764

2-hydroxy-4-methoxy-3-methylbenzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=C(C=CC(=C1O)C(=O)O)OC
InChI
InChI=1S/C9H10O4/c1-5-7(13-2)4-3-6(8(5)10)9(11)12/h3-4,10H,1-2H3,(H,11,12)
InChIKey
LZHDGQOTJRJHBX-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methoxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

182.0579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.4
[M+Na]+ 205.04712 143.6
[M-H]- 181.05062 136.4
[M+NH4]+ 200.09172 153.6
[M+K]+ 221.02106 142.1
[M+H-H2O]+ 165.05516 129.5
[M+HCOO]- 227.05610 156.1
[M+CH3COO]- 241.07175 177.9
[M+Na-2H]- 203.03257 138.5
[M]+ 182.05735 136.2
[M]- 182.05845 136.2
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