CID 170892

Einecs 256-717-6

Structural Information

Molecular Formula

C₂₀H₂₈

SMILES

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

InChI

InChI=1S/C20H28/c1-7-19(3,4)17-14-13-15-11-9-10-12-16(15)18(17)20(5,6)8-2/h9-14H,7-8H2,1-6H3

InChIKey

IJAPRTGBEXDTEZ-UHFFFAOYSA-N

Compound name

1,2-bis(2-methylbutan-2-yl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.2191 Da
Monoisotopic Mass: 7.6
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]+	269.22638	167.9
[M+Na]+	291.20832	174.9
[M-H]-	267.21182	172.2
[M+NH4]+	286.25292	186.3
[M+K]+	307.18226	170.5
[M+H-H2O]+	251.21636	162.0
[M+HCOO]-	313.21730	185.5
[M+CH3COO]-	327.23295	205.1
[M+Na-2H]-	289.19377	173.6
[M]+	268.21855	170.4
[M]-	268.21965	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe