CID 15715213

2-methoxy-4,5-dimethylbenzoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=CC(=C(C=C1C)OC)C(=O)O
InChI
InChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey
HATRJAVAPAPTBH-UHFFFAOYSA-N
Compound name
2-methoxy-4,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 135.1
[M+Na]+ 203.06786 144.5
[M-H]- 179.07136 138.4
[M+NH4]+ 198.11246 155.3
[M+K]+ 219.04180 143.0
[M+H-H2O]+ 163.07590 130.1
[M+HCOO]- 225.07684 157.8
[M+CH3COO]- 239.09249 181.3
[M+Na-2H]- 201.05331 139.2
[M]+ 180.07809 137.8
[M]- 180.07919 137.8
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