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]+ 217.097146 152.1
[M+Na]+ 239.079088 160.3
[M-H]- 215.082594 153.8
[M+NH4]+ 234.123693 167.8
[M+K]+ 255.053028 156.3
[M+H-H2O]+ 199.087130 139.3
[M+HCOO]- 261.088071 171.3
[M+CH3COO]- 275.103721 198.6
[M+Na-2H]- 237.064536 155.8
[M]+ 216.08932142 146.3
[M]- 216.09041858 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.