CID 112703

63649-51-4

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1=CCC(C(C1)(C)C)C(C)OC=O

InChI

InChI=1S/C12H20O2/c1-9-5-6-11(10(2)14-8-13)12(3,4)7-9/h5,8,10-11H,6-7H2,1-4H3

InChIKey

LYXVXHDZNUEEGM-UHFFFAOYSA-N

Compound name

1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 196.14633 Da
Monoisotopic Mass: 3.1
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]+	197.15361	145.5
[M+Na]+	219.13555	156.8
[M+NH4]+	214.18015	155.1
[M+K]+	235.10949	148.9
[M-H]-	195.13905	147.2
[M+Na-2H]-	217.12100	151.6
[M]+	196.14578	147.7
[M]-	196.14688	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe