CID 173532

76649-20-2

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCC1C(CCC1O)C

InChI

InChI=1S/C11H22O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-12H,3-8H2,1-2H3

InChIKey

AASLUBJZRBOXBK-UHFFFAOYSA-N

Compound name

3-methyl-2-pentylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.16707 Da
Monoisotopic Mass: 3.7
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	142.5
[M+Na]+	193.156288	148.4
[M-H]-	169.159794	144.2
[M+NH4]+	188.200893	164.6
[M+K]+	209.130228	146.2
[M+H-H2O]+	153.164330	137.7
[M+HCOO]-	215.165271	162.9
[M+CH3COO]-	229.180921	179.9
[M+Na-2H]-	191.141736	143.6
[M]+	170.16652142	141.2
[M]-	170.16761858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe