CID 6434080

N-(2-hydroxy-1,1-dimethylethyl)cinnamamide

Structural Information

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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.5
[M+Na]+ 242.11515 156.8
[M-H]- 218.11865 153.3
[M+NH4]+ 237.15975 168.9
[M+K]+ 258.08909 153.7
[M+H-H2O]+ 202.12319 145.6
[M+HCOO]- 264.12413 172.6
[M+CH3COO]- 278.13978 187.7
[M+Na-2H]- 240.10060 156.8
[M]+ 219.12538 150.4
[M]- 219.12648 150.4
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.