CID 20481707

4-amino-2-cyclohexylbutan-2-ol

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(CCN)(C1CCCCC1)O

InChI

InChI=1S/C10H21NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h9,12H,2-8,11H2,1H3

InChIKey

RLXPHHPHRJZEMO-UHFFFAOYSA-N

Compound name

4-amino-2-cyclohexylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 171.16231 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]+	172.16959	141.1
[M+Na]+	194.15153	149.1
[M+NH4]+	189.19613	149.1
[M+K]+	210.12547	144.1
[M-H]-	170.15503	142.3
[M+Na-2H]-	192.13698	144.9
[M]+	171.16176	142.3
[M]-	171.16286	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe