CID 86811664

1692498-55-7

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C#CCOC1CCC(CC1)CO

InChI

InChI=1S/C10H16O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,9-11H,3-8H2

InChIKey

JFJNULVYUNJHIH-UHFFFAOYSA-N

Compound name

(4-prop-2-ynoxycyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.0
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]+	169.122316	135.7
[M+Na]+	191.104258	143.4
[M-H]-	167.107764	136.3
[M+NH4]+	186.148863	153.5
[M+K]+	207.078198	139.8
[M+H-H2O]+	151.112300	124.8
[M+HCOO]-	213.113241	149.6
[M+CH3COO]-	227.128891	185.0
[M+Na-2H]-	189.089706	139.0
[M]+	168.11449142	127.7
[M]-	168.11558858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.