CID 5276625

Schembl292647

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CCNC12CC3CC(C1)(CC(C3)(C2)C)C

InChI

InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3

InChIKey

FTXVGNKOUJOOHU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 101
Patents: 207.1987 Da
Monoisotopic Mass: 4.2
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	153.6
[M+Na]+	230.18792	157.0
[M-H]-	206.19142	149.3
[M+NH4]+	225.23252	182.9
[M+K]+	246.16186	152.9
[M+H-H2O]+	190.19596	146.5
[M+HCOO]-	252.19690	161.1
[M+CH3COO]-	266.21255	162.4
[M+Na-2H]-	228.17337	165.4
[M]+	207.19815	153.5
[M]-	207.19925	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe