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]+ 194.09241 139.9
[M+Na]+ 216.07435 147.2
[M-H]- 192.07785 144.2
[M+NH4]+ 211.11895 157.6
[M+K]+ 232.04829 140.7
[M+H-H2O]+ 176.08239 136.4
[M+HCOO]- 238.08333 163.4
[M+CH3COO]- 252.09898 176.0
[M+Na-2H]- 214.05980 147.3
[M]+ 193.08458 136.2
[M]- 193.08568 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.