CID 95173

4-t-butylcyclohexyl formate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C)C1CCC(CC1)OC=O

InChI

InChI=1S/C11H20O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h8-10H,4-7H2,1-3H3

InChIKey

ZIIKTNCFALFPNK-UHFFFAOYSA-N

Compound name

(4-tert-butylcyclohexyl) formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 183
Patents: 184.14633 Da
Monoisotopic Mass: 3.4
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]+	185.15361	143.1
[M+Na]+	207.13555	153.2
[M+NH4]+	202.18015	151.3
[M+K]+	223.10949	147.6
[M-H]-	183.13905	144.1
[M+Na-2H]-	205.12100	147.4
[M]+	184.14578	144.7
[M]-	184.14688	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe