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

2874
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

literature stripe

Patent stripe

patents stripe