CID 113321

Vih71nss6f

Structural Information

Molecular Formula
C28H44
SMILES
CC(C)CCCCCCC1=C2C=CC=C(C2=CC=C1)CCCCCCC(C)C
InChI
InChI=1S/C28H44/c1-23(2)15-9-5-7-11-17-25-19-13-22-28-26(20-14-21-27(25)28)18-12-8-6-10-16-24(3)4/h13-14,19-24H,5-12,15-18H2,1-4H3
InChIKey
AEPJPNZYVUGBIM-UHFFFAOYSA-N
Compound name
1,5-bis(7-methyloctyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
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]+ 381.35158 206.3
[M+Na]+ 403.33352 208.1
[M-H]- 379.33702 208.1
[M+NH4]+ 398.37812 219.3
[M+K]+ 419.30746 201.6
[M+H-H2O]+ 363.34156 197.5
[M+HCOO]- 425.34250 222.0
[M+CH3COO]- 439.35815 229.4
[M+Na-2H]- 401.31897 203.2
[M]+ 380.34375 210.9
[M]- 380.34485 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

patents stripe