CID 6434077

4-chloro-n-(2-hydroxyethyl)cinnamamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCO)Cl
InChI
InChI=1S/C11H12ClNO2/c12-10-4-1-9(2-5-10)3-6-11(15)13-7-8-14/h1-6,14H,7-8H2,(H,13,15)/b6-3+
InChIKey
RHBQLRHLQXLTSV-ZZXKWVIFSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

225.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 148.3
[M+Na]+ 248.04487 155.7
[M-H]- 224.04837 150.4
[M+NH4]+ 243.08947 166.5
[M+K]+ 264.01881 150.6
[M+H-H2O]+ 208.05291 143.2
[M+HCOO]- 270.05385 167.1
[M+CH3COO]- 284.06950 186.4
[M+Na-2H]- 246.03032 152.8
[M]+ 225.05510 149.4
[M]- 225.05620 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

patents stripe