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]+ 165.13863 137.1
[M+Na]+ 187.12057 143.2
[M-H]- 163.12407 140.4
[M+NH4]+ 182.16517 156.6
[M+K]+ 203.09451 141.0
[M+H-H2O]+ 147.12861 129.0
[M+HCOO]- 209.12955 156.6
[M+CH3COO]- 223.14520 149.5
[M+Na-2H]- 185.10602 140.8
[M]+ 164.13080 132.6
[M]- 164.13190 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.