CID 6434360

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

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]+ 226.06293 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

No patent data available for this compound.