CID 11635

Octadecane

Structural Information

Molecular Formula

C₁₈H₃₈

SMILES

CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey

RZJRJXONCZWCBN-UHFFFAOYSA-N

Compound name

octadecane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 740
References: 43692
Patents: 254.29735 Da
Monoisotopic Mass: 9.3
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]+	255.30463	173.4
[M+Na]+	277.28657	175.7
[M-H]-	253.29007	171.5
[M+NH4]+	272.33117	190.9
[M+K]+	293.26051	172.4
[M+H-H2O]+	237.29461	166.9
[M+HCOO]-	299.29555	193.2
[M+CH3COO]-	313.31120	203.7
[M+Na-2H]-	275.27202	174.1
[M]+	254.29680	179.3
[M]-	254.29790	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe