CID 12396302

15745-87-6

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC=CC(C1)CCCO

InChI

InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2

InChIKey

SULXKJHFQFLJOY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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]+	141.12740	131.6
[M+Na]+	163.10934	136.4
[M-H]-	139.11284	133.0
[M+NH4]+	158.15394	152.4
[M+K]+	179.08328	134.7
[M+H-H2O]+	123.11738	126.3
[M+HCOO]-	185.11832	152.0
[M+CH3COO]-	199.13397	171.4
[M+Na-2H]-	161.09479	137.3
[M]+	140.11957	128.1
[M]-	140.12067	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe