CID 3764486

3,5-dimethoxy-4-methylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
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

literature stripe

Patent stripe

patents stripe