CID 105343

Einecs 266-258-3

Structural Information

Molecular Formula
C9H15N3O3
SMILES
C=CCOC(=O)NCCN1CCNC1=O
InChI
InChI=1S/C9H15N3O3/c1-2-7-15-9(14)11-4-6-12-5-3-10-8(12)13/h2H,1,3-7H2,(H,10,13)(H,11,14)
InChIKey
PPOUXMSMABGDRJ-UHFFFAOYSA-N
Compound name
prop-2-enyl N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

213.11134 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 148.4
[M+Na]+ 236.10056 153.7
[M-H]- 212.10406 147.2
[M+NH4]+ 231.14516 164.9
[M+K]+ 252.07450 151.6
[M+H-H2O]+ 196.10860 140.9
[M+HCOO]- 258.10954 167.9
[M+CH3COO]- 272.12519 184.1
[M+Na-2H]- 234.08601 150.3
[M]+ 213.11079 146.2
[M]- 213.11189 146.2
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

patents stripe