CID 122163441

2-(3-cyano-2-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=C(C=CC=C1C#N)CC(=O)O
InChI
InChI=1S/C10H9NO3/c1-14-10-7(5-9(12)13)3-2-4-8(10)6-11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
UWPHAWWIJIUYMM-UHFFFAOYSA-N
Compound name
2-(3-cyano-2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.6
[M+Na]+ 214.04746 151.0
[M+NH4]+ 209.09206 143.4
[M+K]+ 230.02140 143.0
[M-H]- 190.05096 133.1
[M+Na-2H]- 212.03291 142.6
[M]+ 191.05769 138.4
[M]- 191.05879 138.4
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

No patent data available for this compound.