CID 90658037

3,6-dihydronicotine

Structural Information

Molecular Formula
C10H16N2
SMILES
CN1CCC[C@H]1C2C=CCN=C2
InChI
InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/t9?,10-/m0/s1
InChIKey
FHQCTCOXKBQXGN-AXDSSHIGSA-N
Compound name
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

164.13135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 137.1
[M+Na]+ 187.120568 143.2
[M-H]- 163.124074 140.4
[M+NH4]+ 182.165173 156.6
[M+K]+ 203.094508 141.0
[M+H-H2O]+ 147.128610 129.0
[M+HCOO]- 209.129551 156.6
[M+CH3COO]- 223.145201 149.5
[M+Na-2H]- 185.106016 140.8
[M]+ 164.13080142 132.6
[M]- 164.13189858 132.6
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

No patent data available for this compound.