CID 80503

Cyclopentyl butyrate

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCCC(=O)OC1CCCC1

InChI

InChI=1S/C9H16O2/c1-2-5-9(10)11-8-6-3-4-7-8/h8H,2-7H2,1H3

InChIKey

OZORRWASBYZFPY-UHFFFAOYSA-N

Compound name

cyclopentyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 156.11504 Da
Monoisotopic Mass: 2.2
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]+	157.122316	136.7
[M+Na]+	179.104258	142.0
[M-H]-	155.107764	139.5
[M+NH4]+	174.148863	159.2
[M+K]+	195.078198	141.6
[M+H-H2O]+	139.112300	131.3
[M+HCOO]-	201.113241	158.7
[M+CH3COO]-	215.128891	175.5
[M+Na-2H]-	177.089706	139.3
[M]+	156.11449142	135.8
[M]-	156.11558858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe