CID 296566

Heptadecane, 9-hexyl-

Structural Information

Molecular Formula

C₂₃H₄₈

SMILES

CCCCCCCCC(CCCCCC)CCCCCCCC

InChI

InChI=1S/C23H48/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3

InChIKey

ZUSMXUXZJCOSPV-UHFFFAOYSA-N

Compound name

9-hexylheptadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 324.3756 Da
Monoisotopic Mass: 12.4
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]+	325.382876	196.8
[M+Na]+	347.364818	196.7
[M-H]-	323.368324	193.9
[M+NH4]+	342.409423	211.3
[M+K]+	363.338758	192.5
[M+H-H2O]+	307.372860	189.4
[M+HCOO]-	369.373801	213.9
[M+CH3COO]-	383.389451	219.3
[M+Na-2H]-	345.350266	193.4
[M]+	324.37505142	203.9
[M]-	324.37614858	203.9

Literature stripe

literature stripe

Patent stripe

patents stripe