CID 6434367

43196-23-2

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCO)C#N
InChI
InChI=1S/C12H12N2O2/c13-9-11-3-1-10(2-4-11)5-6-12(16)14-7-8-15/h1-6,15H,7-8H2,(H,14,16)/b6-5+
InChIKey
HJISVBXLSGXNBO-AATRIKPKSA-N
Compound name
(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 152.1
[M+Na]+ 239.07909 162.1
[M+NH4]+ 234.12369 155.3
[M+K]+ 255.05303 152.9
[M-H]- 215.08259 145.8
[M+Na-2H]- 237.06454 154.4
[M]+ 216.08932 150.6
[M]- 216.09042 150.6
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.