CID 102750

1,1,3,4,4,6-hexamethyltetralin

Structural Information

Molecular Formula
C16H24
SMILES
CC1CC(C2=C(C1(C)C)C=C(C=C2)C)(C)C
InChI
InChI=1S/C16H24/c1-11-7-8-13-14(9-11)16(5,6)12(2)10-15(13,3)4/h7-9,12H,10H2,1-6H3
InChIKey
JIVANURAWUCQIG-UHFFFAOYSA-N
Compound name
1,1,2,4,4,7-hexamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

280
Patents

216.1878 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19508 147.8
[M+Na]+ 239.17702 157.4
[M-H]- 215.18052 153.1
[M+NH4]+ 234.22162 172.7
[M+K]+ 255.15096 154.1
[M+H-H2O]+ 199.18506 143.2
[M+HCOO]- 261.18600 167.1
[M+CH3COO]- 275.20165 194.4
[M+Na-2H]- 237.16247 153.2
[M]+ 216.18725 148.3
[M]- 216.18835 148.3
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