CID 3023205

Einecs 301-232-8

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CC1(C(=O)N(C(=O)N1)CNC(=O)C=C)C
InChI
InChI=1S/C9H13N3O3/c1-4-6(13)10-5-12-7(14)9(2,3)11-8(12)15/h4H,1,5H2,2-3H3,(H,10,13)(H,11,15)
InChIKey
FDDHPCWGNIJSAP-UHFFFAOYSA-N
Compound name
N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 144.0
[M+Na]+ 234.084908 152.4
[M-H]- 210.088414 144.0
[M+NH4]+ 229.129513 163.1
[M+K]+ 250.058848 149.9
[M+H-H2O]+ 194.092950 138.6
[M+HCOO]- 256.093891 163.7
[M+CH3COO]- 270.109541 185.9
[M+Na-2H]- 232.070356 146.1
[M]+ 211.09514142 142.4
[M]- 211.09623858 142.4
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.