CID 6434085

30687-15-1

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]+ 236.128126 154.9
[M+Na]+ 258.110068 159.6
[M-H]- 234.113574 155.2
[M+NH4]+ 253.154673 170.8
[M+K]+ 274.084008 156.1
[M+H-H2O]+ 218.118110 148.9
[M+HCOO]- 280.119051 174.6
[M+CH3COO]- 294.134701 187.4
[M+Na-2H]- 256.095516 159.8
[M]+ 235.12030142 153.3
[M]- 235.12139858 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.