CID 89594

Nicotine

Structural Information

Molecular Formula
C10H14N2
SMILES
CN1CCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChIKey
SNICXCGAKADSCV-JTQLQIEISA-N
Compound name
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

39685
References

126849
Patents

162.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 136.2
[M+Na]+ 185.10491 149.1
[M+NH4]+ 180.14951 145.4
[M+K]+ 201.07885 143.6
[M-H]- 161.10841 139.4
[M+Na-2H]- 183.09036 144.1
[M]+ 162.11514 138.9
[M]- 162.11624 138.9
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