CID 77509

2,6-di-tert-butylnaphthalene

Structural Information

Molecular Formula
C18H24
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)(C)C
InChI
InChI=1S/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3
InChIKey
TZGXZNWUOXLMFL-UHFFFAOYSA-N
Compound name
2,6-ditert-butylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

188
Patents

240.1878 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19508 158.7
[M+Na]+ 263.17702 166.7
[M-H]- 239.18052 163.5
[M+NH4]+ 258.22162 178.4
[M+K]+ 279.15096 162.9
[M+H-H2O]+ 223.18506 153.3
[M+HCOO]- 285.18600 177.0
[M+CH3COO]- 299.20165 197.8
[M+Na-2H]- 261.16247 165.5
[M]+ 240.18725 160.3
[M]- 240.18835 160.3
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