CID 138316

(3,5-dimethoxyphenyl)acetic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC(=CC(=C1)CC(=O)O)OC
InChI
InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey
FFPAFDDLAGTGPQ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

944
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.1
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.9
[M+NH4]+ 214.10738 158.1
[M+K]+ 235.03672 146.4
[M+H-H2O]+ 179.07082 133.5
[M+HCOO]- 241.07176 162.0
[M+CH3COO]- 255.08741 182.2
[M+Na-2H]- 217.04823 143.8
[M]+ 196.07301 142.8
[M]- 196.07411 142.8
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