CID 86236

Sec-icosylnaphthalene

Structural Information

Molecular Formula
C30H48
SMILES
CCCCCCCCCCCCCCCCCCC(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C30H48/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(2)29-26-21-24-28-23-19-20-25-30(28)29/h19-21,23-27H,3-18,22H2,1-2H3
InChIKey
IIIXUNDSGHWXBK-UHFFFAOYSA-N
Compound name
1-icosan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3756 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.38288 214.3
[M+Na]+ 431.36482 226.0
[M+NH4]+ 426.40942 222.2
[M+K]+ 447.33876 213.2
[M-H]- 407.36832 218.0
[M+Na-2H]- 429.35027 218.4
[M]+ 408.37505 217.2
[M]- 408.37615 217.2
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

No patent data available for this compound.