CID 62328

Terpinyl propionate

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CCC(=O)OC(C)(C)C1CCC(=CC1)C

InChI

InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3

InChIKey

CMKQOKAXUWQAHG-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 683
Patents: 210.16199 Da
Monoisotopic Mass: 2.9
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]+	211.16927	150.3
[M+Na]+	233.15121	160.6
[M+NH4]+	228.19581	158.1
[M+K]+	249.12515	155.1
[M-H]-	209.15471	151.2
[M+Na-2H]-	231.13666	154.7
[M]+	210.16144	151.9
[M]-	210.16254	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe