CID 15232793

1,17-heptadecanediol

Structural Information

Molecular Formula

C₁₇H₃₆O₂

SMILES

C(CCCCCCCCO)CCCCCCCCO

InChI

InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2

InChIKey

WNZVVHVYAKZZBU-UHFFFAOYSA-N

Compound name

heptadecane-1,17-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 869
Patents: 272.27155 Da
Monoisotopic Mass: 6.2
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]+	273.278826	175.8
[M+Na]+	295.260768	177.5
[M-H]-	271.264274	171.0
[M+NH4]+	290.305373	190.9
[M+K]+	311.234708	173.5
[M+H-H2O]+	255.268810	169.4
[M+HCOO]-	317.269751	193.4
[M+CH3COO]-	331.285401	199.0
[M+Na-2H]-	293.246216	175.9
[M]+	272.27100142	180.3
[M]-	272.27209858	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe