CID 10442133

65017-57-4

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CCCCN1CCC(CC1)CN

InChI

InChI=1S/C10H22N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h10H,2-9,11H2,1H3

InChIKey

SXSSVNBOMMHRRB-UHFFFAOYSA-N

Compound name

(1-butylpiperidin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 170.1783 Da
Monoisotopic Mass: 1.3
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]+	171.18558	142.9
[M+Na]+	193.16752	146.8
[M-H]-	169.17102	143.3
[M+NH4]+	188.21212	161.5
[M+K]+	209.14146	144.9
[M+H-H2O]+	153.17556	135.9
[M+HCOO]-	215.17650	161.8
[M+CH3COO]-	229.19215	183.4
[M+Na-2H]-	191.15297	146.0
[M]+	170.17775	137.9
[M]-	170.17885	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe