CID 21115002

Schembl4670007

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCC(C1CCCCC1)OC=O

InChI

InChI=1S/C10H18O2/c1-2-10(12-8-11)9-6-4-3-5-7-9/h8-10H,2-7H2,1H3

InChIKey

KKISKZFTHLCUPE-UHFFFAOYSA-N

Compound name

1-cyclohexylpropyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 170.13068 Da
Monoisotopic Mass: 3.5
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]+	171.137956	139.7
[M+Na]+	193.119898	143.5
[M-H]-	169.123404	142.0
[M+NH4]+	188.164503	159.6
[M+K]+	209.093838	142.9
[M+H-H2O]+	153.127940	133.8
[M+HCOO]-	215.128881	159.2
[M+CH3COO]-	229.144531	179.5
[M+Na-2H]-	191.105346	143.1
[M]+	170.13013142	137.2
[M]-	170.13122858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe