CID 27867

Menthyl acetate

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CC1CCC(C(C1)OC(=O)C)C(C)C

InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3

InChIKey

XHXUANMFYXWVNG-UHFFFAOYSA-N

Compound name

(5-methyl-2-propan-2-ylcyclohexyl) acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 22
References: 14911
Patents: 198.16199 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]+	199.16927	147.4
[M+Na]+	221.15121	157.2
[M+NH4]+	216.19581	155.4
[M+K]+	237.12515	152.0
[M-H]-	197.15471	148.6
[M+Na-2H]-	219.13666	150.5
[M]+	198.16144	148.9
[M]-	198.16254	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe