CID 161973

1-dodecylnaphthalene

Structural Information

Molecular Formula
C22H32
SMILES
CCCCCCCCCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3
InChIKey
UVMGANPLBFFQIO-UHFFFAOYSA-N
Compound name
1-dodecylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1531
Patents

296.2504 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.25768 177.8
[M+Na]+ 319.23962 191.6
[M+NH4]+ 314.28422 187.3
[M+K]+ 335.21356 179.9
[M-H]- 295.24312 182.1
[M+Na-2H]- 317.22507 184.5
[M]+ 296.24985 181.2
[M]- 296.25095 181.2
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