CID 85750

14548-72-2

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CC(CN(CC(C)O)C1CCCCC1)O

InChI

InChI=1S/C12H25NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h10-12,14-15H,3-9H2,1-2H3

InChIKey

QMEZIAQDVYFSDQ-UHFFFAOYSA-N

Compound name

1-[cyclohexyl(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 281
Patents: 215.18852 Da
Monoisotopic Mass: 1.6
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]+	216.195796	155.1
[M+Na]+	238.177738	155.9
[M-H]-	214.181244	155.5
[M+NH4]+	233.222343	172.0
[M+K]+	254.151678	155.5
[M+H-H2O]+	198.185780	148.7
[M+HCOO]-	260.186721	171.1
[M+CH3COO]-	274.202371	190.5
[M+Na-2H]-	236.163186	154.6
[M]+	215.18797142	150.0
[M]-	215.18906858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe