CID 2759583

4-methoxy-3-methylbenzoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey
DNMUMZLKDOZMEY-UHFFFAOYSA-N
Compound name
4-methoxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

166.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 131.4
[M+Na]+ 189.05221 140.2
[M-H]- 165.05571 134.5
[M+NH4]+ 184.09681 151.7
[M+K]+ 205.02615 139.0
[M+H-H2O]+ 149.06025 126.3
[M+HCOO]- 211.06119 154.4
[M+CH3COO]- 225.07684 177.0
[M+Na-2H]- 187.03766 136.6
[M]+ 166.06244 133.3
[M]- 166.06354 133.3
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