CID 142645

6-dipropylamino-1-hexanol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CCCN(CCC)CCCCCCO

InChI

InChI=1S/C12H27NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h14H,3-12H2,1-2H3

InChIKey

NGLYVCQIAOHIJE-UHFFFAOYSA-N

Compound name

6-(dipropylamino)hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 201.20926 Da
Monoisotopic Mass: 2.8
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]+	202.216536	154.3
[M+Na]+	224.198478	157.9
[M-H]-	200.201984	153.5
[M+NH4]+	219.243083	173.4
[M+K]+	240.172418	157.0
[M+H-H2O]+	184.206520	148.3
[M+HCOO]-	246.207461	176.4
[M+CH3COO]-	260.223111	193.0
[M+Na-2H]-	222.183926	157.0
[M]+	201.20871142	157.8
[M]-	201.20980858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe