CID 3016990

55708-87-7

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CC1=CCC(CC1)C(C)(C)OCCO

InChI

InChI=1S/C12H22O2/c1-10-4-6-11(7-5-10)12(2,3)14-9-8-13/h4,11,13H,5-9H2,1-3H3

InChIKey

QKELXXNYILOTAV-UHFFFAOYSA-N

Compound name

2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 198.16199 Da
Monoisotopic Mass: 1.7
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	147.7
[M+Na]+	221.15121	152.7
[M-H]-	197.15471	149.3
[M+NH4]+	216.19581	166.6
[M+K]+	237.12515	151.1
[M+H-H2O]+	181.15925	142.6
[M+HCOO]-	243.16019	165.8
[M+CH3COO]-	257.17584	184.0
[M+Na-2H]-	219.13666	151.9
[M]+	198.16144	146.9
[M]-	198.16254	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe