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

255
Patents

115.07456 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08184 121.8
[M+Na]+ 138.06378 127.6
[M-H]- 114.06728 121.9
[M+NH4]+ 133.10838 140.9
[M+K]+ 154.03772 127.3
[M+H-H2O]+ 98.071820 114.5
[M+HCOO]- 160.07276 142.4
[M+CH3COO]- 174.08841 168.6
[M+Na-2H]- 136.04923 130.0
[M]+ 115.07401 116.5
[M]- 115.07511 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.