CID 668171

6935-44-0

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)O)/C#N
InChI
InChI=1S/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-3-5-11(14)6-4-9/h3-7,14H,2H2,1H3/b10-7+
InChIKey
HRBVVSOFSLPAOY-JXMROGBWSA-N
Compound name
ethyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 148.9
[M+Na]+ 240.06312 159.3
[M+NH4]+ 235.10772 152.0
[M+K]+ 256.03706 151.2
[M-H]- 216.06662 141.8
[M+Na-2H]- 238.04857 150.9
[M]+ 217.07335 147.3
[M]- 217.07445 147.3
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