CID 71660

Leptacline

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

C1CCC(CC1)CN2CCCCC2

InChI

InChI=1S/C12H23N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h12H,1-11H2

InChIKey

SFSYFLJDJQTPNM-UHFFFAOYSA-N

Compound name

1-(cyclohexylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 186
Patents: 181.18304 Da
Monoisotopic Mass: 3.5
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]+	182.19032	145.6
[M+Na]+	204.17226	146.7
[M-H]-	180.17576	148.5
[M+NH4]+	199.21686	163.2
[M+K]+	220.14620	144.6
[M+H-H2O]+	164.18030	137.5
[M+HCOO]-	226.18124	160.6
[M+CH3COO]-	240.19689	180.9
[M+Na-2H]-	202.15771	148.5
[M]+	181.18249	135.7
[M]-	181.18359	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe