CID 15627

4-tert-butylstyrene

Structural Information

Molecular Formula

C₁₂H₁₆

SMILES

CC(C)(C)C1=CC=C(C=C1)C=C

InChI

InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

InChIKey

QEDJMOONZLUIMC-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-ethenylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 55706
Patents: 160.1252 Da
Monoisotopic Mass: 4.4
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]+	161.13248	134.9
[M+Na]+	183.11442	143.0
[M-H]-	159.11792	138.9
[M+NH4]+	178.15902	156.5
[M+K]+	199.08836	140.3
[M+H-H2O]+	143.12246	130.1
[M+HCOO]-	205.12340	157.3
[M+CH3COO]-	219.13905	180.4
[M+Na-2H]-	181.09987	141.7
[M]+	160.12465	135.2
[M]-	160.12575	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe