CID 3017283

Einecs 262-963-5

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

1
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

patents stripe