CID 127579

N'-nitrosonornicotine-1-n-oxide

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-]
InChI
InChI=1S/C9H11N3O2/c13-10-12-6-2-4-9(12)8-3-1-5-11(14)7-8/h1,3,5,7,9H,2,4,6H2
InChIKey
ZQELURDMDMQXQV-UHFFFAOYSA-N
Compound name
3-(1-nitrosopyrrolidin-2-yl)-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.9
[M+Na]+ 216.074348 147.2
[M-H]- 192.077854 144.2
[M+NH4]+ 211.118953 157.6
[M+K]+ 232.048288 140.7
[M+H-H2O]+ 176.082390 136.4
[M+HCOO]- 238.083331 163.4
[M+CH3COO]- 252.098981 176.0
[M+Na-2H]- 214.059796 147.3
[M]+ 193.08458142 136.2
[M]- 193.08567858 136.2
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.