CID 31940

N-isobutyl-1-adamantanamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CC(C)CNC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H25N/c1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14/h10-13,15H,3-9H2,1-2H3

InChIKey

XJHYWJPFKACCOU-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)adamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.1987 Da
Monoisotopic Mass: 3.8
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]+	208.20598	152.7
[M+Na]+	230.18792	153.2
[M-H]-	206.19142	147.6
[M+NH4]+	225.23252	178.1
[M+K]+	246.16186	150.0
[M+H-H2O]+	190.19596	146.5
[M+HCOO]-	252.19690	159.3
[M+CH3COO]-	266.21255	160.6
[M+Na-2H]-	228.17337	162.0
[M]+	207.19815	151.2
[M]-	207.19925	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.