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]+ 130.06111 123.3
[M+Na]+ 152.04305 130.3
[M-H]- 128.04655 123.9
[M+NH4]+ 147.08765 142.1
[M+K]+ 168.01699 129.8
[M+H-H2O]+ 112.05109 116.3
[M+HCOO]- 174.05203 144.4
[M+CH3COO]- 188.06768 170.9
[M+Na-2H]- 150.02850 130.8
[M]+ 129.05328 119.2
[M]- 129.05438 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.