CID 114663

13643-42-0

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC=CC(=O)NCCN1CCNC1=O
InChI
InChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)
InChIKey
VCBCPCANDXGMPG-UHFFFAOYSA-N
Compound name
N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 146.9
[M+Na]+ 220.10564 153.8
[M+NH4]+ 215.15024 151.9
[M+K]+ 236.07958 151.4
[M-H]- 196.10914 144.9
[M+Na-2H]- 218.09109 148.1
[M]+ 197.11587 146.6
[M]- 197.11697 146.6
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.