CID 6252144

N-(2,3-dihydroxypropyl)cinnamamide

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCC(CO)O
InChI
InChI=1S/C12H15NO3/c14-9-11(15)8-13-12(16)7-6-10-4-2-1-3-5-10/h1-7,11,14-15H,8-9H2,(H,13,16)/b7-6+
InChIKey
YTKHFZPEWKKYQC-VOTSOKGWSA-N
Compound name
(E)-N-(2,3-dihydroxypropyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 150.9
[M+Na]+ 244.09442 155.3
[M-H]- 220.09792 151.2
[M+NH4]+ 239.13902 167.1
[M+K]+ 260.06836 152.2
[M+H-H2O]+ 204.10246 144.5
[M+HCOO]- 266.10340 171.5
[M+CH3COO]- 280.11905 185.0
[M+Na-2H]- 242.07987 154.2
[M]+ 221.10465 148.8
[M]- 221.10575 148.8
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.