CID 53769220

4-nitrosopiperazin-2-one

Structural Information

Molecular Formula
C4H7N3O2
SMILES
C1CN(CC(=O)N1)N=O
InChI
InChI=1S/C4H7N3O2/c8-4-3-7(6-9)2-1-5-4/h1-3H2,(H,5,8)
InChIKey
DNKUENYEUIUSEQ-UHFFFAOYSA-N
Compound name
4-nitrosopiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.05383 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 123.3
[M+Na]+ 152.043048 130.3
[M-H]- 128.046554 123.9
[M+NH4]+ 147.087653 142.1
[M+K]+ 168.016988 129.8
[M+H-H2O]+ 112.051090 116.3
[M+HCOO]- 174.052031 144.4
[M+CH3COO]- 188.067681 170.9
[M+Na-2H]- 150.028496 130.8
[M]+ 129.05328142 119.2
[M]- 129.05437858 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.