CID 91337

25225-08-5

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C1CCCC(C1)(C)C)OC=O

InChI

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

InChIKey

NFASPEPDTMCBEN-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylcyclohexyl)ethyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 730
Patents: 184.14633 Da
Monoisotopic Mass: 3.6
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	143.7
[M+Na]+	207.13555	153.8
[M+NH4]+	202.18015	153.4
[M+K]+	223.10949	146.1
[M-H]-	183.13905	145.1
[M+Na-2H]-	205.12100	149.2
[M]+	184.14578	145.5
[M]-	184.14688	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe