CID 18365528

3,5-dimethoxy-2-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

No literature data available for this compound.

Patent stripe

patents stripe