CID 3301470

1-dibutylamino-2-butanol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CCCCN(CCCC)CC(CC)O

InChI

InChI=1S/C12H27NO/c1-4-7-9-13(10-8-5-2)11-12(14)6-3/h12,14H,4-11H2,1-3H3

InChIKey

LNQQBMJYPYXJBH-UHFFFAOYSA-N

Compound name

1-(dibutylamino)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 201.20926 Da
Monoisotopic Mass: 3.0
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]+	202.216536	155.1
[M+Na]+	224.198478	158.4
[M-H]-	200.201984	154.3
[M+NH4]+	219.243083	174.1
[M+K]+	240.172418	158.0
[M+H-H2O]+	184.206520	149.1
[M+HCOO]-	246.207461	176.1
[M+CH3COO]-	260.223111	193.8
[M+Na-2H]-	222.183926	156.5
[M]+	201.20871142	157.9
[M]-	201.20980858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe