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

2773
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 140.3
[M+Na]+ 219.06278 152.1
[M+NH4]+ 214.10738 147.3
[M+K]+ 235.03672 147.4
[M-H]- 195.06628 140.8
[M+Na-2H]- 217.04823 145.5
[M]+ 196.07301 141.9
[M]- 196.07411 141.9
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