CID 85842332

Cis-3-ethoxy-p-menth-1-ene

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCOC1C=C(CCC1C(C)C)C

InChI

InChI=1S/C12H22O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h8-9,11-12H,5-7H2,1-4H3

InChIKey

IGDOLPGZDYSOBC-UHFFFAOYSA-N

Compound name

3-ethoxy-1-methyl-4-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.16707 Da
Monoisotopic Mass: 3.0
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]+	183.174346	143.4
[M+Na]+	205.156288	149.1
[M-H]-	181.159794	146.6
[M+NH4]+	200.200893	163.9
[M+K]+	221.130228	148.1
[M+H-H2O]+	165.164330	138.0
[M+HCOO]-	227.165271	163.3
[M+CH3COO]-	241.180921	186.3
[M+Na-2H]-	203.141736	145.5
[M]+	182.16652142	143.2
[M]-	182.16761858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe