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

9
Patents

380.3443 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.351576 206.2
[M+Na]+ 403.333518 207.3
[M-H]- 379.337024 207.5
[M+NH4]+ 398.378123 219.0
[M+K]+ 419.307458 200.3
[M+H-H2O]+ 363.341560 196.9
[M+HCOO]- 425.342501 222.9
[M+CH3COO]- 439.358151 227.5
[M+Na-2H]- 401.318966 205.0
[M]+ 380.34375142 211.0
[M]- 380.34484858 211.0
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