CID 6434092

Cinnamamide, n-(1,1-bis(hydroxymethyl)-2-hydroxyethyl)-

Structural Information

Molecular Formula
C13H17NO4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC(CO)(CO)CO
InChI
InChI=1S/C13H17NO4/c15-8-13(9-16,10-17)14-12(18)7-6-11-4-2-1-3-5-11/h1-7,15-17H,8-10H2,(H,14,18)/b7-6+
InChIKey
MMWIQMZOZJKIKO-VOTSOKGWSA-N
Compound name
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 157.8
[M+Na]+ 274.104968 161.9
[M-H]- 250.108474 156.7
[M+NH4]+ 269.149573 172.2
[M+K]+ 290.078908 158.2
[M+H-H2O]+ 234.113010 151.8
[M+HCOO]- 296.113951 176.2
[M+CH3COO]- 310.129601 187.2
[M+Na-2H]- 272.090416 162.3
[M]+ 251.11520142 155.8
[M]- 251.11629858 155.8
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.