CID 736237

2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=C(C=C1)/C=C(/C#N)\C(=O)O
InChI
InChI=1S/C11H9NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b9-6-
InChIKey
KMHNRJDDHTZZDZ-TWGQIWQCSA-N
Compound name
(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 146.3
[M+Na]+ 226.047458 155.4
[M-H]- 202.050964 148.4
[M+NH4]+ 221.092063 162.6
[M+K]+ 242.021398 152.4
[M+H-H2O]+ 186.055500 134.0
[M+HCOO]- 248.056441 164.3
[M+CH3COO]- 262.072091 194.6
[M+Na-2H]- 224.032906 149.3
[M]+ 203.05769142 141.7
[M]- 203.05878858 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