CID 5801120

N-(1-(hydroxymethyl)propyl)cinnamamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCC(CO)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C13H17NO2/c1-2-12(10-15)14-13(16)9-8-11-6-4-3-5-7-11/h3-9,12,15H,2,10H2,1H3,(H,14,16)/b9-8+
InChIKey
HMZWQDVKGZGOKN-CMDGGOBGSA-N
Compound name
(E)-N-(1-hydroxybutan-2-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 152.2
[M+Na]+ 242.115148 156.8
[M-H]- 218.118654 153.8
[M+NH4]+ 237.159753 169.4
[M+K]+ 258.089088 153.7
[M+H-H2O]+ 202.123190 145.7
[M+HCOO]- 264.124131 173.9
[M+CH3COO]- 278.139781 188.3
[M+Na-2H]- 240.100596 155.5
[M]+ 219.12538142 150.9
[M]- 219.12647858 150.9
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.