CID 19042523

Schembl6546925

Structural Information

Molecular Formula

C₁₅H₁₈

SMILES

CCC(C)C1=C(C2=CC=CC=C2C=C1)C

InChI

InChI=1S/C15H18/c1-4-11(2)14-10-9-13-7-5-6-8-15(13)12(14)3/h5-11H,4H2,1-3H3

InChIKey

KOXSKIJEWSIZFD-UHFFFAOYSA-N

Compound name

2-butan-2-yl-1-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	144.8
[M+Na]+	221.130068	152.8
[M-H]-	197.133574	149.4
[M+NH4]+	216.174673	165.7
[M+K]+	237.104008	149.1
[M+H-H2O]+	181.138110	138.8
[M+HCOO]-	243.139051	166.3
[M+CH3COO]-	257.154701	190.0
[M+Na-2H]-	219.115516	150.5
[M]+	198.14030142	145.7
[M]-	198.14139858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe