CID 3017985

2-(decyloxy)cyclohexan-1-ol

Structural Information

Molecular Formula

C₁₆H₃₂O₂

SMILES

CCCCCCCCCCOC1CCCCC1O

InChI

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17/h15-17H,2-14H2,1H3

InChIKey

KVBCPXQQODIKLZ-UHFFFAOYSA-N

Compound name

2-decoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 256.24023 Da
Monoisotopic Mass: 5.2
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]+	257.247506	167.9
[M+Na]+	279.229448	169.6
[M-H]-	255.232954	167.9
[M+NH4]+	274.274053	184.1
[M+K]+	295.203388	166.8
[M+H-H2O]+	239.237490	161.2
[M+HCOO]-	301.238431	184.6
[M+CH3COO]-	315.254081	196.1
[M+Na-2H]-	277.214896	168.1
[M]+	256.23968142	167.4
[M]-	256.24077858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe