CID 201440

Ethylnornicotine

Structural Information

Molecular Formula
C11H16N2
SMILES
CCN1CCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1
InChIKey
VXSLBTSUIZUVFX-NSHDSACASA-N
Compound name
3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.7
[M+Na]+ 199.12057 146.4
[M-H]- 175.12407 143.1
[M+NH4]+ 194.16517 158.8
[M+K]+ 215.09451 143.7
[M+H-H2O]+ 159.12861 131.4
[M+HCOO]- 221.12955 160.3
[M+CH3COO]- 235.14520 152.2
[M+Na-2H]- 197.10602 143.9
[M]+ 176.13080 137.0
[M]- 176.13190 137.0
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