CID 44144727

Sec-octadecylnaphthalene

Structural Information

Molecular Formula
C28H44
SMILES
CCCCCCCCCCCCCCCCC(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C28H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(2)27-24-19-22-26-21-17-18-23-28(26)27/h17-19,21-25H,3-16,20H2,1-2H3
InChIKey
YCNNUYYPMCIWNW-UHFFFAOYSA-N
Compound name
1-octadecan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.3443 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.35158 205.2
[M+Na]+ 403.33352 217.4
[M+NH4]+ 398.37812 213.5
[M+K]+ 419.30746 205.1
[M-H]- 379.33702 209.1
[M+Na-2H]- 401.31897 209.9
[M]+ 380.34375 208.3
[M]- 380.34485 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe