CID 102772

Menthyl formate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

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

InChI

InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3

InChIKey

XEYZAKCJAFSLGZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1777
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	142.8
[M+Na]+	207.13555	153.2
[M+NH4]+	202.18015	151.1
[M+K]+	223.10949	147.4
[M-H]-	183.13905	144.3
[M+Na-2H]-	205.12100	146.6
[M]+	184.14578	144.5
[M]-	184.14688	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe