CID 366405

Nsc634774

Structural Information

Molecular Formula
C8H7N3O5
SMILES
C#CCN(C(=O)ON1C(=O)CCC1=O)N=O
InChI
InChI=1S/C8H7N3O5/c1-2-5-10(9-15)8(14)16-11-6(12)3-4-7(11)13/h1H,3-5H2
InChIKey
XGROVBHXLVLJSZ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-nitroso-N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03857 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04585 142.3
[M+Na]+ 248.02779 151.1
[M-H]- 224.03129 145.3
[M+NH4]+ 243.07239 158.8
[M+K]+ 264.00173 151.2
[M+H-H2O]+ 208.03583 128.8
[M+HCOO]- 270.03677 162.2
[M+CH3COO]- 284.05242 201.5
[M+Na-2H]- 246.01324 144.3
[M]+ 225.03802 139.4
[M]- 225.03912 139.4
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.