CID 6435308

N-(hydroxyethyl)-3-methylcinnamamide hydrate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=CC(=CC=C1)/C=C/C(=O)NCCO
InChI
InChI=1S/C12H15NO2/c1-10-3-2-4-11(9-10)5-6-12(15)13-7-8-14/h2-6,9,14H,7-8H2,1H3,(H,13,15)/b6-5+
InChIKey
MCWSRHXGZXXZOJ-AATRIKPKSA-N
Compound name
(E)-N-(2-hydroxyethyl)-3-(3-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.5
[M+Na]+ 228.09950 158.3
[M+NH4]+ 223.14410 154.6
[M+K]+ 244.07344 152.0
[M-H]- 204.10300 148.8
[M+Na-2H]- 226.08495 152.8
[M]+ 205.10973 149.1
[M]- 205.11083 149.1
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.