CID 5276638

Chembl1213381

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CC(C)C12CC3CC(C1)CC(C3)(C2)NC

InChI

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

InChIKey

WDAVNYNXUBKMOS-UHFFFAOYSA-N

Compound name

N-methyl-3-propan-2-yladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 207.1987 Da
Monoisotopic Mass: 3.7
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	154.2
[M+Na]+	230.18792	155.9
[M-H]-	206.19142	149.3
[M+NH4]+	225.23252	181.5
[M+K]+	246.16186	152.5
[M+H-H2O]+	190.19596	147.7
[M+HCOO]-	252.19690	160.6
[M+CH3COO]-	266.21255	162.4
[M+Na-2H]-	228.17337	164.0
[M]+	207.19815	153.0
[M]-	207.19925	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.