CID 6631

Dihydroterpinyl acetate

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CC1CCC(CC1)C(C)(C)OC(=O)C

InChI

InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3

InChIKey

HBNHCGDYYBMKJN-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohexyl)propan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3655
Patents: 198.16199 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]+	199.16927	147.4
[M+Na]+	221.15121	156.9
[M+NH4]+	216.19581	155.3
[M+K]+	237.12515	151.9
[M-H]-	197.15471	148.1
[M+Na-2H]-	219.13666	151.0
[M]+	198.16144	148.8
[M]-	198.16254	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe