CID 89430

5-hexadecanol

Structural Information

Molecular Formula

C₁₆H₃₄O

SMILES

CCCCCCCCCCCC(CCCC)O

InChI

InChI=1S/C16H34O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h16-17H,3-15H2,1-2H3

InChIKey

HNDLTSNUZCYNRL-UHFFFAOYSA-N

Compound name

hexadecan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 468
Patents: 242.26097 Da
Monoisotopic Mass: 7.0
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]+	243.268246	169.1
[M+Na]+	265.250188	171.5
[M-H]-	241.253694	166.1
[M+NH4]+	260.294793	186.2
[M+K]+	281.224128	168.6
[M+H-H2O]+	225.258230	163.0
[M+HCOO]-	287.259171	187.3
[M+CH3COO]-	301.274821	197.5
[M+Na-2H]-	263.235636	168.9
[M]+	242.26042142	173.0
[M]-	242.26151858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe