CID 35964

31878-59-8

Structural Information

Molecular Formula

C₁₅H₂₇NO

SMILES

CN(C)CCC(C12CC3CC(C1)CC(C3)C2)O

InChI

InChI=1S/C15H27NO/c1-16(2)4-3-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,17H,3-10H2,1-2H3

InChIKey

MELAOWZNXDXXBF-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-3-(dimethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.20926 Da
Monoisotopic Mass: 2.9
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]+	238.21654	161.2
[M+Na]+	260.19848	160.7
[M-H]-	236.20198	155.6
[M+NH4]+	255.24308	185.2
[M+K]+	276.17242	158.4
[M+H-H2O]+	220.20652	155.0
[M+HCOO]-	282.20746	166.4
[M+CH3COO]-	296.22311	168.3
[M+Na-2H]-	258.18393	168.9
[M]+	237.20871	160.8
[M]-	237.20981	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.