CID 119030922

2,2-dicyclobutylethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C1CC(C1)C(CO)C2CCC2

InChI

InChI=1S/C10H18O/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-11H,1-7H2

InChIKey

USKSWTGZRMFHAE-UHFFFAOYSA-N

Compound name

2,2-di(cyclobutyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.13577 Da
Monoisotopic Mass: 3.1
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]+	155.143046	128.1
[M+Na]+	177.124988	129.9
[M-H]-	153.128494	132.3
[M+NH4]+	172.169593	134.8
[M+K]+	193.098928	134.4
[M+H-H2O]+	137.133030	113.7
[M+HCOO]-	199.133971	144.2
[M+CH3COO]-	213.149621	188.7
[M+Na-2H]-	175.110436	131.2
[M]+	154.13522142	140.7
[M]-	154.13631858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe