CID 5276217

3-ethyl-5,7-dimethyl-adamantan-1-amine

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CCC12CC3(CC(C1)(CC(C3)(C2)N)C)C

InChI

InChI=1S/C14H25N/c1-4-13-6-11(2)5-12(3,7-13)9-14(15,8-11)10-13/h4-10,15H2,1-3H3

InChIKey

QJZCXHNEPQJAPJ-UHFFFAOYSA-N

Compound name

3-ethyl-5,7-dimethyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 127
Patents: 207.1987 Da
Monoisotopic Mass: 4.6
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	155.6
[M+Na]+	230.18792	160.4
[M-H]-	206.19142	151.2
[M+NH4]+	225.23252	186.5
[M+K]+	246.16186	155.8
[M+H-H2O]+	190.19596	148.3
[M+HCOO]-	252.19690	162.3
[M+CH3COO]-	266.21255	164.5
[M+Na-2H]-	228.17337	167.1
[M]+	207.19815	155.2
[M]-	207.19925	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe