CID 3037040

Nicotine dimethiodide

Structural Information

Molecular Formula
C12H20N2
SMILES
C[N+]1=CC=CC(=C1)[C@@H]2CCC[N+]2(C)C
InChI
InChI=1S/C12H20N2/c1-13-8-4-6-11(10-13)12-7-5-9-14(12,2)3/h4,6,8,10,12H,5,7,9H2,1-3H3/q+2/t12-/m0/s1
InChIKey
JOEQGJUIJYDQRN-LBPRGKRZSA-N
Compound name
3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 143.7
[M+Na]+ 215.15186 151.5
[M-H]- 191.15536 148.3
[M+NH4]+ 210.19646 163.9
[M+K]+ 231.12580 138.1
[M+H-H2O]+ 175.15990 141.8
[M+HCOO]- 237.16084 163.1
[M+CH3COO]- 251.17649 172.1
[M+Na-2H]- 213.13731 152.5
[M]+ 192.16209 139.2
[M]- 192.16319 139.2
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