CID 53777785

8-cyclopropyloctan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

C1CC1CCCCCCCCO

InChI

InChI=1S/C11H22O/c12-10-6-4-2-1-3-5-7-11-8-9-11/h11-12H,1-10H2

InChIKey

VMMULAHNUBCGEW-UHFFFAOYSA-N

Compound name

8-cyclopropyloctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.16707 Da
Monoisotopic Mass: 4.8
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	140.9
[M+Na]+	193.156288	147.7
[M-H]-	169.159794	143.4
[M+NH4]+	188.200893	156.1
[M+K]+	209.130228	144.7
[M+H-H2O]+	153.164330	134.7
[M+HCOO]-	215.165271	162.4
[M+CH3COO]-	229.180921	183.4
[M+Na-2H]-	191.141736	145.7
[M]+	170.16652142	144.8
[M]-	170.16761858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe