CID 14343960

Naphthalene, eicosyl-

Structural Information

Molecular Formula
C30H48
SMILES
CCCCCCCCCCCCCCCCCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C30H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-25-22-26-29-24-20-21-27-30(28)29/h20-22,24-27H,2-19,23H2,1H3
InChIKey
ZHGIKBCGOGBDFG-UHFFFAOYSA-N
Compound name
1-icosylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

408.3756 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.38288 214.2
[M+Na]+ 431.36482 214.7
[M-H]- 407.36832 215.0
[M+NH4]+ 426.40942 225.9
[M+K]+ 447.33876 206.7
[M+H-H2O]+ 391.37286 204.3
[M+HCOO]- 453.37380 231.2
[M+CH3COO]- 467.38945 232.6
[M+Na-2H]- 429.35027 213.1
[M]+ 408.37505 220.3
[M]- 408.37615 220.3
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