CID 6434360

Cinnamamide, 3-chloro-n-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1=CC(=CC(=C1)Cl)/C=C/C(=O)NCCO
InChI
InChI=1S/C11H12ClNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+
InChIKey
BFCYBKWECBNWRH-SNAWJCMRSA-N
Compound name
(E)-3-(3-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 148.3
[M+Na]+ 248.044868 155.7
[M-H]- 224.048374 150.4
[M+NH4]+ 243.089473 166.5
[M+K]+ 264.018808 150.6
[M+H-H2O]+ 208.052910 143.2
[M+HCOO]- 270.053851 167.1
[M+CH3COO]- 284.069501 186.4
[M+Na-2H]- 246.030316 152.8
[M]+ 225.05510142 149.4
[M]- 225.05619858 149.4
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

No patent data available for this compound.