CID 4366136

1-isopropoxycyclohexene

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(C)OC1=CCCCC1

InChI

InChI=1S/C9H16O/c1-8(2)10-9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3

InChIKey

AZDWLUXNJQFOCU-UHFFFAOYSA-N

Compound name

1-propan-2-yloxycyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 140.12012 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]+	141.127396	131.2
[M+Na]+	163.109338	136.3
[M-H]-	139.112844	134.2
[M+NH4]+	158.153943	152.7
[M+K]+	179.083278	135.9
[M+H-H2O]+	123.117380	125.8
[M+HCOO]-	185.118321	152.1
[M+CH3COO]-	199.133971	175.0
[M+Na-2H]-	161.094786	136.2
[M]+	140.11957142	129.1
[M]-	140.12066858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe