CID 102501

868-63-3

Structural Information

Molecular Formula
C8H12N2O4
SMILES
C=CC(=O)NC(C(NC(=O)C=C)O)O
InChI
InChI=1S/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)
InChIKey
ZMLXKXHICXTSDM-UHFFFAOYSA-N
Compound name
N-[1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2646
Patents

200.07971 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 144.7
[M+Na]+ 223.06893 148.7
[M-H]- 199.07243 142.0
[M+NH4]+ 218.11353 161.3
[M+K]+ 239.04287 147.7
[M+H-H2O]+ 183.07697 139.1
[M+HCOO]- 245.07791 164.6
[M+CH3COO]- 259.09356 185.1
[M+Na-2H]- 221.05438 145.0
[M]+ 200.07916 141.4
[M]- 200.08026 141.4
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.