CID 93999

1,1,4,4-tetramethyl-6-ethyl-7-chloromethyltetralin

Structural Information

Molecular Formula
C17H25Cl
SMILES
CCC1=CC2=C(C=C1CCl)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H25Cl/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-10H,6-8,11H2,1-5H3
InChIKey
ODQIDWUAORJLDJ-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-7-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.1645 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17178 158.8
[M+Na]+ 287.15372 168.8
[M-H]- 263.15722 163.6
[M+NH4]+ 282.19832 182.6
[M+K]+ 303.12766 163.2
[M+H-H2O]+ 247.16176 154.7
[M+HCOO]- 309.16270 173.3
[M+CH3COO]- 323.17835 201.1
[M+Na-2H]- 285.13917 163.1
[M]+ 264.16395 161.6
[M]- 264.16505 161.6
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