CID 20358

Cyclohexyl formate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CCC(CC1)OC=O

InChI

InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey

VUXKVKAHWOVIDN-UHFFFAOYSA-N

Compound name

cyclohexyl formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 16288
Patents: 128.08372 Da
Monoisotopic Mass: 1.9
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]+	129.09100	125.4
[M+Na]+	151.07294	130.8
[M-H]-	127.07644	128.3
[M+NH4]+	146.11754	147.2
[M+K]+	167.04688	130.6
[M+H-H2O]+	111.08098	120.1
[M+HCOO]-	173.08192	146.9
[M+CH3COO]-	187.09757	169.5
[M+Na-2H]-	149.05839	131.8
[M]+	128.08317	122.5
[M]-	128.08427	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe