CID 53417559

3-methoxy-2,5-dimethylbenzoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=CC(=C(C(=C1)OC)C)C(=O)O
InChI
InChI=1S/C10H12O3/c1-6-4-8(10(11)12)7(2)9(5-6)13-3/h4-5H,1-3H3,(H,11,12)
InChIKey
SUSSFYUYIFADRR-UHFFFAOYSA-N
Compound name
3-methoxy-2,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.9
[M+Na]+ 203.06786 149.6
[M+NH4]+ 198.11246 144.5
[M+K]+ 219.04180 144.5
[M-H]- 179.07136 138.0
[M+Na-2H]- 201.05331 142.4
[M]+ 180.07809 138.9
[M]- 180.07919 138.9
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

No patent data available for this compound.