CID 3019611

1-(tert-butyl)-8-methylnaphthalene

Structural Information

Molecular Formula

C₁₅H₁₈

SMILES

CC1=C2C(=CC=C1)C=CC=C2C(C)(C)C

InChI

InChI=1S/C15H18/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4/h5-10H,1-4H3

InChIKey

QRSHXEMAGJAHQU-UHFFFAOYSA-N

Compound name

1-tert-butyl-8-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.14085 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe