CID 44919

63872-80-0

Structural Information

Molecular Formula

C₁₅H₂₇N

SMILES

CCCCC(C12CC3CC(C1)CC(C3)C2)N

InChI

InChI=1S/C15H27N/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10,16H2,1H3

InChIKey

DLVUMYKCECWKKS-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 221.21436 Da
Monoisotopic Mass: 4.0
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	158.6
[M+Na]+	244.203578	158.7
[M-H]-	220.207084	152.7
[M+NH4]+	239.248183	183.2
[M+K]+	260.177518	155.0
[M+H-H2O]+	204.211620	152.3
[M+HCOO]-	266.212561	164.2
[M+CH3COO]-	280.228211	165.8
[M+Na-2H]-	242.189026	166.3
[M]+	221.21381142	156.5
[M]-	221.21490858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe