CID 558024

Isoheptadecanol

Structural Information

Molecular Formula

C₁₇H₃₆O

SMILES

CC(C)CCCCCCCCCCCCCCO

InChI

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

InChIKey

VWIXGTHYBZXAPS-UHFFFAOYSA-N

Compound name

15-methylhexadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 770
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	173.6
[M+Na]+	279.26582	175.6
[M-H]-	255.26932	170.4
[M+NH4]+	274.31042	190.1
[M+K]+	295.23976	172.5
[M+H-H2O]+	239.27386	167.4
[M+HCOO]-	301.27480	191.4
[M+CH3COO]-	315.29045	200.5
[M+Na-2H]-	277.25127	172.9
[M]+	256.27605	177.9
[M]-	256.27715	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe