CID 3045489

1-propanol, 3-(decyloxy)-

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCCCCCCCCCOCCCO

InChI

InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h14H,2-13H2,1H3

InChIKey

CFBISZHYSTVKKB-UHFFFAOYSA-N

Compound name

3-decoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 216.20892 Da
Monoisotopic Mass: 4.3
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]+	217.21620	155.4
[M+Na]+	239.19814	164.1
[M+NH4]+	234.24274	162.2
[M+K]+	255.17208	156.8
[M-H]-	215.20164	154.3
[M+Na-2H]-	237.18359	157.3
[M]+	216.20837	156.1
[M]-	216.20947	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe