CID 22247

N-methylnicotinium iodide

Structural Information

Molecular Formula
C11H17N2
SMILES
C[N+]1(CCCC1C2=CN=CC=C2)C
InChI
InChI=1S/C11H17N2/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
InChIKey
WYBBYUGHCIQZBV-UHFFFAOYSA-N
Compound name
3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

177.13918 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14646 137.9
[M+Na]+ 200.12840 145.5
[M-H]- 176.13190 142.2
[M+NH4]+ 195.17300 159.1
[M+K]+ 216.10234 137.5
[M+H-H2O]+ 160.13644 133.2
[M+HCOO]- 222.13738 158.3
[M+CH3COO]- 236.15303 173.3
[M+Na-2H]- 198.11385 145.7
[M]+ 177.13863 133.9
[M]- 177.13973 133.9
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