CID 144414

4-(diisobutylamino)-1-butanol

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CC(C)CN(CCCCO)CC(C)C

InChI

InChI=1S/C12H27NO/c1-11(2)9-13(10-12(3)4)7-5-6-8-14/h11-12,14H,5-10H2,1-4H3

InChIKey

CGMXEHSYBRPJJL-UHFFFAOYSA-N

Compound name

4-[bis(2-methylpropyl)amino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
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	155.5
[M+Na]+	224.198478	158.7
[M-H]-	200.201984	154.9
[M+NH4]+	219.243083	174.5
[M+K]+	240.172418	158.7
[M+H-H2O]+	184.206520	149.7
[M+HCOO]-	246.207461	175.6
[M+CH3COO]-	260.223111	194.7
[M+Na-2H]-	222.183926	155.6
[M]+	201.20871142	157.7
[M]-	201.20980858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe