CID 11788818

3,4-dimethoxy-2-methylbenzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CC1=C(C=CC(=C1OC)OC)C(=O)O
InChI
InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey
OUEJXYZKZCQELU-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

196.07356 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 138.2
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.4
[M+NH4]+ 214.10738 157.5
[M+K]+ 235.03672 146.5
[M+H-H2O]+ 179.07082 132.9
[M+HCOO]- 241.07176 161.0
[M+CH3COO]- 255.08741 183.4
[M+Na-2H]- 217.04823 142.2
[M]+ 196.07301 142.3
[M]- 196.07411 142.3
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