CID 86236

Naphthalene, (1-methylnonadecyl)-

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
2
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 215.2
[M+Na]+ 431.36482 215.4
[M-H]- 407.36832 216.1
[M+NH4]+ 426.40942 226.8
[M+K]+ 447.33876 207.9
[M+H-H2O]+ 391.37286 205.5
[M+HCOO]- 453.37380 231.2
[M+CH3COO]- 467.38945 233.3
[M+Na-2H]- 429.35027 212.9
[M]+ 408.37505 220.7
[M]- 408.37615 220.7
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.