CID 115488

Win 5579

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CC(C)NCC(C1CCC(CC1)O)O

InChI

InChI=1S/C11H23NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h8-14H,3-7H2,1-2H3

InChIKey

VZSFNWNPGOTXER-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.17288 Da
Monoisotopic Mass: 0.8
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]+	202.18016	149.0
[M+Na]+	224.16210	156.1
[M+NH4]+	219.20670	156.1
[M+K]+	240.13604	152.0
[M-H]-	200.16560	149.5
[M+Na-2H]-	222.14755	151.1
[M]+	201.17233	149.7
[M]-	201.17343	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe