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 146.7
[M+Na]+ 228.09950 152.9
[M-H]- 204.10300 148.8
[M+NH4]+ 223.14410 164.8
[M+K]+ 244.07344 149.6
[M+H-H2O]+ 188.10754 140.5
[M+HCOO]- 250.10848 169.7
[M+CH3COO]- 264.12413 185.6
[M+Na-2H]- 226.08495 151.1
[M]+ 205.10973 146.1
[M]- 205.11083 146.1
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.