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 160.3
[M-H]- 215.08259 153.8
[M+NH4]+ 234.12369 167.8
[M+K]+ 255.05303 156.3
[M+H-H2O]+ 199.08713 139.3
[M+HCOO]- 261.08807 171.3
[M+CH3COO]- 275.10372 198.6
[M+Na-2H]- 237.06454 155.8
[M]+ 216.08932 146.3
[M]- 216.09042 146.3
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.