CID 2752903

6590-47-2

Structural Information

Molecular Formula

C₁₂H₁₆

SMILES

CC1=C(C(=C2CCC2=C1C)C)C

InChI

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

InChIKey

BTTXMGUWIGYGNH-UHFFFAOYSA-N

Compound name

2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.1252 Da
Monoisotopic Mass: 1.4
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	131.1
[M+Na]+	183.11442	141.5
[M+NH4]+	178.15902	137.7
[M+K]+	199.08836	135.8
[M-H]-	159.11792	132.0
[M+Na-2H]-	181.09987	135.4
[M]+	160.12465	131.9
[M]-	160.12575	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.