CID 6434092

30687-25-3

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]+ 252.12303 157.8
[M+Na]+ 274.10497 161.9
[M-H]- 250.10847 156.7
[M+NH4]+ 269.14957 172.2
[M+K]+ 290.07891 158.2
[M+H-H2O]+ 234.11301 151.8
[M+HCOO]- 296.11395 176.2
[M+CH3COO]- 310.12960 187.2
[M+Na-2H]- 272.09042 162.3
[M]+ 251.11520 155.8
[M]- 251.11630 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.