CID 6663

6-ethyl-1,1,4,4-tetramethyltetralin

Structural Information

Molecular Formula
C16H24
SMILES
CCC1=CC2=C(C=C1)C(CCC2(C)C)(C)C
InChI
InChI=1S/C16H24/c1-6-12-7-8-13-14(11-12)16(4,5)10-9-15(13,2)3/h7-8,11H,6,9-10H2,1-5H3
InChIKey
SLIOAQVQWDNBNB-UHFFFAOYSA-N
Compound name
6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

116
Patents

216.1878 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19508 151.6
[M+Na]+ 239.17702 165.8
[M+NH4]+ 234.22162 164.9
[M+K]+ 255.15096 153.2
[M-H]- 215.18052 155.9
[M+Na-2H]- 237.16247 160.9
[M]+ 216.18725 155.5
[M]- 216.18835 155.5
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