CID 527144

P-menth-1-en-9-yl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1=CCC(CC1)C(C)COC(=O)C

InChI

InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3

InChIKey

QUHIXSUMNSRNNP-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propyl acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 99
Patents: 196.14633 Da
Monoisotopic Mass: 2.8
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]+	197.153606	146.3
[M+Na]+	219.135548	151.1
[M-H]-	195.139054	149.2
[M+NH4]+	214.180153	165.7
[M+K]+	235.109488	150.4
[M+H-H2O]+	179.143590	140.5
[M+HCOO]-	241.144531	165.7
[M+CH3COO]-	255.160181	186.5
[M+Na-2H]-	217.120996	147.8
[M]+	196.14578142	145.7
[M]-	196.14687858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe