CID 3019609

6-(tert-butyl)-1-methylnaphthalene

Structural Information

Molecular Formula
C15H18
SMILES
CC1=C2C=CC(=CC2=CC=C1)C(C)(C)C
InChI
InChI=1S/C15H18/c1-11-6-5-7-12-10-13(15(2,3)4)8-9-14(11)12/h5-10H,1-4H3
InChIKey
UJCRBWGNDBJACW-UHFFFAOYSA-N
Compound name
6-tert-butyl-1-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.14085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 144.9
[M+Na]+ 221.130068 153.8
[M-H]- 197.133574 149.9
[M+NH4]+ 216.174673 166.2
[M+K]+ 237.104008 150.1
[M+H-H2O]+ 181.138110 139.5
[M+HCOO]- 243.139051 165.9
[M+CH3COO]- 257.154701 188.9
[M+Na-2H]- 219.115516 152.6
[M]+ 198.14030142 146.0
[M]- 198.14139858 146.0
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