CID 7139

93-40-3

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

20
References

2937
Patents

196.07356 Da
Monoisotopic Mass

1.0
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