CID 17024

2421-02-5

Structural Information

Molecular Formula

C₁₂H₂₇NO₃

SMILES

CCC(CN(CC(CC)O)CC(CC)O)O

InChI

InChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3

InChIKey

BFIAIMMAHAIVFT-UHFFFAOYSA-N

Compound name

1-[bis(2-hydroxybutyl)amino]butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3048
Patents: 233.1991 Da
Monoisotopic Mass: 1.1
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]+	234.20638	162.4
[M+Na]+	256.18832	164.3
[M-H]-	232.19182	158.8
[M+NH4]+	251.23292	178.3
[M+K]+	272.16226	164.1
[M+H-H2O]+	216.19636	156.5
[M+HCOO]-	278.19730	178.8
[M+CH3COO]-	292.21295	194.4
[M+Na-2H]-	254.17377	160.1
[M]+	233.19855	162.9
[M]-	233.19965	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe