CID 136435

9-heptadecanol

Structural Information

Molecular Formula

C₁₇H₃₆O

SMILES

CCCCCCCCC(CCCCCCCC)O

InChI

InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

InChIKey

WTWWTKPAEZQYPW-UHFFFAOYSA-N

Compound name

heptadecan-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 790
Patents: 256.2766 Da
Monoisotopic Mass: 7.5
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]+	257.28388	170.6
[M+Na]+	279.26582	178.6
[M+NH4]+	274.31042	177.1
[M+K]+	295.23976	170.6
[M-H]-	255.26932	169.6
[M+Na-2H]-	277.25127	171.4
[M]+	256.27605	171.2
[M]-	256.27715	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe