CID 23290123

2408968-41-0

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1CC(CCC1N)(CO)CO

InChI

InChI=1S/C8H17NO2/c9-7-1-3-8(5-10,6-11)4-2-7/h7,10-11H,1-6,9H2

InChIKey

BQLNDBGHJIRLJW-UHFFFAOYSA-N

Compound name

[4-amino-1-(hydroxymethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.12593 Da
Monoisotopic Mass: -0.7
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]+	160.13321	135.1
[M+Na]+	182.11515	143.4
[M+NH4]+	177.15975	144.2
[M+K]+	198.08909	136.9
[M-H]-	158.11865	136.0
[M+Na-2H]-	180.10060	139.9
[M]+	159.12538	136.3
[M]-	159.12648	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe