CID 18734931

214760-50-6

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(C)(C1CCC(CC1)CN)O

InChI

InChI=1S/C10H21NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h8-9,12H,3-7,11H2,1-2H3

InChIKey

FGOMSYAAKQLLGZ-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)cyclohexyl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 171.16231 Da
Monoisotopic Mass: 0.9
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	140.6
[M+Na]+	194.15153	149.1
[M+NH4]+	189.19613	148.7
[M+K]+	210.12547	144.3
[M-H]-	170.15503	141.9
[M+Na-2H]-	192.13698	144.3
[M]+	171.16176	141.9
[M]-	171.16286	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe