CID 366404

Nsc634773

Structural Information

Molecular Formula
C8H9N3O5
SMILES
C=CCN(C(=O)ON1C(=O)CCC1=O)N=O
InChI
InChI=1S/C8H9N3O5/c1-2-5-10(9-15)8(14)16-11-6(12)3-4-7(11)13/h2H,1,3-5H2
InChIKey
NYLVMGGFKIVAOB-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-nitroso-N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05421 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06149 142.9
[M+Na]+ 250.04343 150.0
[M-H]- 226.04693 148.0
[M+NH4]+ 245.08803 161.8
[M+K]+ 266.01737 151.2
[M+H-H2O]+ 210.05147 135.8
[M+HCOO]- 272.05241 169.4
[M+CH3COO]- 286.06806 195.7
[M+Na-2H]- 248.02888 145.9
[M]+ 227.05366 146.0
[M]- 227.05476 146.0
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.