CID 27966

2-cyclooctyl-2-propanol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(C)(C1CCCCCCC1)O

InChI

InChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3

InChIKey

SSIKICQJPUCGEG-UHFFFAOYSA-N

Compound name

2-cyclooctylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 170.16707 Da
Monoisotopic Mass: 3.6
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]+	171.174346	145.6
[M+Na]+	193.156288	149.1
[M-H]-	169.159794	146.5
[M+NH4]+	188.200893	154.6
[M+K]+	209.130228	149.5
[M+H-H2O]+	153.164330	142.6
[M+HCOO]-	215.165271	153.1
[M+CH3COO]-	229.180921	220.0
[M+Na-2H]-	191.141736	146.1
[M]+	170.16652142	143.2
[M]-	170.16761858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe