CID 6434085

N-(2-hydroxy-1-hydroxymethyl-1-methylethyl)cinnamamide

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(CO)(CO)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C13H17NO3/c1-13(9-15,10-16)14-12(17)8-7-11-5-3-2-4-6-11/h2-8,15-16H,9-10H2,1H3,(H,14,17)/b8-7+
InChIKey
ZSOFSSFAJJPLOF-BQYQJAHWSA-N
Compound name
(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.9
[M+Na]+ 258.11007 159.6
[M-H]- 234.11357 155.2
[M+NH4]+ 253.15467 170.8
[M+K]+ 274.08401 156.1
[M+H-H2O]+ 218.11811 148.9
[M+HCOO]- 280.11905 174.6
[M+CH3COO]- 294.13470 187.4
[M+Na-2H]- 256.09552 159.8
[M]+ 235.12030 153.3
[M]- 235.12140 153.3
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.