CID 120008

Naphthalene, didodecyl-

Structural Information

Molecular Formula
C34H56
SMILES
CCCCCCCCCCCCC1=CC=C(C2=CC=CC=C12)CCCCCCCCCCCC
InChI
InChI=1S/C34H56/c1-3-5-7-9-11-13-15-17-19-21-25-31-29-30-32(34-28-24-23-27-33(31)34)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3
InChIKey
YCIGVZPUYBRFEZ-UHFFFAOYSA-N
Compound name
1,4-didodecylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.4382 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.44548 231.9
[M+Na]+ 487.42742 231.5
[M-H]- 463.43092 232.1
[M+NH4]+ 482.47202 241.4
[M+K]+ 503.40136 222.5
[M+H-H2O]+ 447.43546 221.4
[M+HCOO]- 509.43640 247.4
[M+CH3COO]- 523.45205 245.3
[M+Na-2H]- 485.41287 227.8
[M]+ 464.43765 239.7
[M]- 464.43875 239.7
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.