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

77372
Patents

254.29735 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.304626 173.4
[M+Na]+ 277.286568 175.7
[M-H]- 253.290074 171.5
[M+NH4]+ 272.331173 190.9
[M+K]+ 293.260508 172.4
[M+H-H2O]+ 237.294610 166.9
[M+HCOO]- 299.295551 193.2
[M+CH3COO]- 313.311201 203.7
[M+Na-2H]- 275.272016 174.1
[M]+ 254.29680142 179.3
[M]- 254.29789858 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe