CID 137019

1-butylcyclopentanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCC1(CCCC1)O

InChI

InChI=1S/C9H18O/c1-2-3-6-9(10)7-4-5-8-9/h10H,2-8H2,1H3

InChIKey

GQTUSXZITATQAM-UHFFFAOYSA-N

Compound name

1-butylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
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]+	143.14305	134.0
[M+Na]+	165.12499	139.8
[M-H]-	141.12849	135.7
[M+NH4]+	160.16959	158.5
[M+K]+	181.09893	138.2
[M+H-H2O]+	125.13303	129.8
[M+HCOO]-	187.13397	155.1
[M+CH3COO]-	201.14962	171.2
[M+Na-2H]-	163.11044	138.6
[M]+	142.13522	131.5
[M]-	142.13632	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe