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

38
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 139.9
[M+Na]+ 219.06278 152.1
[M+NH4]+ 214.10738 147.0
[M+K]+ 235.03672 147.6
[M-H]- 195.06628 140.5
[M+Na-2H]- 217.04823 144.9
[M]+ 196.07301 141.6
[M]- 196.07411 141.6
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