CID 22833345

Ulfcxonfzspcem-uhfffaoysa-n

Structural Information

Molecular Formula
C28H44
SMILES
CC(C)CCCCCCC1=CC2=C(C=C1)C=CC(=C2)CCCCCCC(C)C
InChI
InChI=1S/C28H44/c1-23(2)13-9-5-7-11-15-25-17-19-27-20-18-26(22-28(27)21-25)16-12-8-6-10-14-24(3)4/h17-24H,5-16H2,1-4H3
InChIKey
ULFCXONFZSPCEM-UHFFFAOYSA-N
Compound name
2,7-bis(7-methyloctyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.3443 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.351576 206.3
[M+Na]+ 403.333518 208.1
[M-H]- 379.337024 208.1
[M+NH4]+ 398.378123 219.3
[M+K]+ 419.307458 201.6
[M+H-H2O]+ 363.341560 197.5
[M+HCOO]- 425.342501 222.0
[M+CH3COO]- 439.358151 229.4
[M+Na-2H]- 401.318966 203.2
[M]+ 380.34375142 210.9
[M]- 380.34484858 210.9
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.