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]+ 228.061486 142.9
[M+Na]+ 250.043428 150.0
[M-H]- 226.046934 148.0
[M+NH4]+ 245.088033 161.8
[M+K]+ 266.017368 151.2
[M+H-H2O]+ 210.051470 135.8
[M+HCOO]- 272.052411 169.4
[M+CH3COO]- 286.068061 195.7
[M+Na-2H]- 248.028876 145.9
[M]+ 227.05366142 146.0
[M]- 227.05475858 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.