CID 6663

Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-

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

137
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 149.5
[M+Na]+ 239.17702 158.2
[M-H]- 215.18052 154.4
[M+NH4]+ 234.22162 174.0
[M+K]+ 255.15096 154.7
[M+H-H2O]+ 199.18506 144.5
[M+HCOO]- 261.18600 168.8
[M+CH3COO]- 275.20165 193.3
[M+Na-2H]- 237.16247 155.4
[M]+ 216.18725 149.5
[M]- 216.18835 149.5
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