CID 91832

1-octadecylnaphthalene

Structural Information

Molecular Formula
C28H44
SMILES
CCCCCCCCCCCCCCCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C28H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-20-24-27-22-18-19-25-28(26)27/h18-20,22-25H,2-17,21H2,1H3
InChIKey
DKTSRTYLZGWAIT-UHFFFAOYSA-N
Compound name
1-octadecylnaphthalene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

144
Patents

380.3443 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.351576 205.3
[M+Na]+ 403.333518 206.7
[M-H]- 379.337024 206.5
[M+NH4]+ 398.378123 218.1
[M+K]+ 419.307458 199.1
[M+H-H2O]+ 363.341560 195.8
[M+HCOO]- 425.342501 223.0
[M+CH3COO]- 439.358151 226.8
[M+Na-2H]- 401.318966 205.3
[M]+ 380.34375142 210.7
[M]- 380.34484858 210.7
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