CID 3010138

N-(1-adamantylmethyl)-n-ethyl-ethanamine

Structural Information

Molecular Formula

C₁₅H₂₇N

SMILES

CCN(CC)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C15H27N/c1-3-16(4-2)11-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14H,3-11H2,1-2H3

InChIKey

OFKOXUFNMPPLDQ-UHFFFAOYSA-N

Compound name

N-(1-adamantylmethyl)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 221.21436 Da
Monoisotopic Mass: 3.9
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]+	222.221636	157.0
[M+Na]+	244.203578	157.2
[M-H]-	220.207084	152.9
[M+NH4]+	239.248183	182.4
[M+K]+	260.177518	154.6
[M+H-H2O]+	204.211620	150.1
[M+HCOO]-	266.212561	164.6
[M+CH3COO]-	280.228211	165.0
[M+Na-2H]-	242.189026	165.9
[M]+	221.21381142	157.3
[M]-	221.21490858	157.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.