CID 13286871

90645-55-9

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(C)(C1CCC=CC1)O

InChI

InChI=1S/C9H16O/c1-9(2,10)8-6-4-3-5-7-8/h3-4,8,10H,5-7H2,1-2H3

InChIKey

FGCVUJGUQUFWLT-UHFFFAOYSA-N

Compound name

2-cyclohex-3-en-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 140.12012 Da
Monoisotopic Mass: 1.9
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]+	141.127396	131.3
[M+Na]+	163.109338	136.7
[M-H]-	139.112844	133.1
[M+NH4]+	158.153943	152.3
[M+K]+	179.083278	135.3
[M+H-H2O]+	123.117380	126.7
[M+HCOO]-	185.118321	150.1
[M+CH3COO]-	199.133971	171.7
[M+Na-2H]-	161.094786	137.7
[M]+	140.11957142	127.4
[M]-	140.12066858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe