CID 3020955

1-decyl-1,2,3,4-tetrahydro-4-methylnaphthalene

Structural Information

Molecular Formula
C21H34
SMILES
CCCCCCCCCCC1CCC(C2=CC=CC=C12)C
InChI
InChI=1S/C21H34/c1-3-4-5-6-7-8-9-10-13-19-17-16-18(2)20-14-11-12-15-21(19)20/h11-12,14-15,18-19H,3-10,13,16-17H2,1-2H3
InChIKey
FJHJRKITLLIESI-UHFFFAOYSA-N
Compound name
1-decyl-4-methyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.26605 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.27333 175.8
[M+Na]+ 309.25527 179.2
[M-H]- 285.25877 178.2
[M+NH4]+ 304.29987 192.9
[M+K]+ 325.22921 173.9
[M+H-H2O]+ 269.26331 168.2
[M+HCOO]- 331.26425 193.2
[M+CH3COO]- 345.27990 207.9
[M+Na-2H]- 307.24072 177.1
[M]+ 286.26550 176.4
[M]- 286.26660 176.4
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