CID 12310988

4-hydroxy-2-methoxy-6-methylbenzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1=CC(=CC(=C1C(=O)O)OC)O
InChI
InChI=1S/C9H10O4/c1-5-3-6(10)4-7(13-2)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
InChIKey
HKYUPCAKFRQXJI-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methoxy-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

182.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 134.4
[M+Na]+ 205.047118 143.6
[M-H]- 181.050624 136.4
[M+NH4]+ 200.091723 153.6
[M+K]+ 221.021058 142.1
[M+H-H2O]+ 165.055160 129.5
[M+HCOO]- 227.056101 156.1
[M+CH3COO]- 241.071751 177.9
[M+Na-2H]- 203.032566 138.5
[M]+ 182.05735142 136.2
[M]- 182.05844858 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

literature stripe

Patent stripe

patents stripe