CID 72735916

1-nitroso-4-(pyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12N4O
SMILES
C1CN(CCN1C2=CC=CC=N2)N=O
InChI
InChI=1S/C9H12N4O/c14-11-13-7-5-12(6-8-13)9-3-1-2-4-10-9/h1-4H,5-8H2
InChIKey
YAEBUEIXWHSRFJ-UHFFFAOYSA-N
Compound name
1-nitroso-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 141.2
[M+Na]+ 215.09032 147.6
[M-H]- 191.09382 144.5
[M+NH4]+ 210.13492 156.4
[M+K]+ 231.06426 145.7
[M+H-H2O]+ 175.09836 131.2
[M+HCOO]- 237.09930 161.8
[M+CH3COO]- 251.11495 186.0
[M+Na-2H]- 213.07577 149.2
[M]+ 192.10055 138.0
[M]- 192.10165 138.0
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

patents stripe