CID 3017283

61761-65-7

Structural Information

Molecular Formula
C19H30
SMILES
CCCCCCCCC1CCC(C2=CC=CC=C12)C
InChI
InChI=1S/C19H30/c1-3-4-5-6-7-8-11-17-15-14-16(2)18-12-9-10-13-19(17)18/h9-10,12-13,16-17H,3-8,11,14-15H2,1-2H3
InChIKey
FKIZLIIRNPNBRY-UHFFFAOYSA-N
Compound name
1-methyl-4-octyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.23474 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.24202 166.5
[M+Na]+ 281.22396 170.9
[M-H]- 257.22746 169.4
[M+NH4]+ 276.26856 184.8
[M+K]+ 297.19790 166.1
[M+H-H2O]+ 241.23200 159.4
[M+HCOO]- 303.23294 184.7
[M+CH3COO]- 317.24859 201.9
[M+Na-2H]- 279.20941 169.0
[M]+ 258.23419 166.5
[M]- 258.23529 166.5
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

No patent data available for this compound.