CID 38257

39234-34-9

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CCCCNC1C2CC3CC(C2)CC1C3

InChI

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

InChIKey

AWILLBFKRSNRGY-UHFFFAOYSA-N

Compound name

N-butyladamantan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.1987 Da
Monoisotopic Mass: 3.4
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	150.3
[M+Na]+	230.18792	150.8
[M-H]-	206.19142	145.2
[M+NH4]+	225.23252	174.1
[M+K]+	246.16186	147.4
[M+H-H2O]+	190.19596	144.4
[M+HCOO]-	252.19690	158.1
[M+CH3COO]-	266.21255	158.4
[M+Na-2H]-	228.17337	159.5
[M]+	207.19815	149.6
[M]-	207.19925	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe