CID 21845

1-nitrosopiperazine

Structural Information

Molecular Formula
C4H9N3O
SMILES
C1CN(CCN1)N=O
InChI
InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2
InChIKey
CVTIZMOISGMZRJ-UHFFFAOYSA-N
Compound name
1-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

259
Patents

115.07456 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 121.8
[M+Na]+ 138.063778 127.6
[M-H]- 114.067284 121.9
[M+NH4]+ 133.108383 140.9
[M+K]+ 154.037718 127.3
[M+H-H2O]+ 98.071820 114.5
[M+HCOO]- 160.072761 142.4
[M+CH3COO]- 174.088411 168.6
[M+Na-2H]- 136.049226 130.0
[M]+ 115.07401142 116.5
[M]- 115.07510858 116.5
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

patents stripe