CID 201441

Allylnornicotine

Structural Information

Molecular Formula
C12H16N2
SMILES
C=CCN1CCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C12H16N2/c1-2-8-14-9-4-6-12(14)11-5-3-7-13-10-11/h2-3,5,7,10,12H,1,4,6,8-9H2/t12-/m0/s1
InChIKey
CSYQMYZKFFZDIU-LBPRGKRZSA-N
Compound name
3-[(2S)-1-prop-2-enylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 143.2
[M+Na]+ 211.12057 149.9
[M-H]- 187.12407 146.5
[M+NH4]+ 206.16517 161.7
[M+K]+ 227.09451 146.3
[M+H-H2O]+ 171.12861 134.9
[M+HCOO]- 233.12955 163.7
[M+CH3COO]- 247.14520 182.3
[M+Na-2H]- 209.10602 146.9
[M]+ 188.13080 140.2
[M]- 188.13190 140.2
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

No patent data available for this compound.