CID 15076

1-heptadecanol

Structural Information

Molecular Formula

C₁₇H₃₆O

SMILES

CCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3

InChIKey

GOQYKNQRPGWPLP-UHFFFAOYSA-N

Compound name

heptadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 25078
Patents: 256.2766 Da
Monoisotopic Mass: 7.8
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	170.1
[M+Na]+	279.26582	178.5
[M+NH4]+	274.31042	176.8
[M+K]+	295.23976	169.7
[M-H]-	255.26932	169.4
[M+Na-2H]-	277.25127	171.4
[M]+	256.27605	170.9
[M]-	256.27715	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe