CID 367934

2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=CC(=C1)C=C(C#N)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-15-10-4-2-3-8(6-10)5-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
IMEFWVUNBYJXKG-UHFFFAOYSA-N
Compound name
2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 146.3
[M+Na]+ 226.04746 155.4
[M-H]- 202.05096 148.4
[M+NH4]+ 221.09206 162.6
[M+K]+ 242.02140 152.4
[M+H-H2O]+ 186.05550 134.0
[M+HCOO]- 248.05644 164.3
[M+CH3COO]- 262.07209 194.6
[M+Na-2H]- 224.03291 149.3
[M]+ 203.05769 141.7
[M]- 203.05879 141.7
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

patents stripe