CID 25768196

Nicotine, 6-methyl-

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1=NC=C(C=C1)[C@@H]2CCCN2C

InChI

InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1

InChIKey

SWNIAVIKMKSDBJ-NSHDSACASA-N

Compound name

2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 176.13135 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.13863	139.5
[M+Na]+	199.12057	147.3
[M-H]-	175.12407	143.4
[M+NH4]+	194.16517	159.0
[M+K]+	215.09451	144.5
[M+H-H2O]+	159.12861	131.6
[M+HCOO]-	221.12955	160.2
[M+CH3COO]-	235.14520	181.2
[M+Na-2H]-	197.10602	143.1
[M]+	176.13080	137.2
[M]-	176.13190	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe