CID 9570250

Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, o-acetyloxime

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C/C(=N\OC(=O)C)/C1CC2=CC=CC=C12

InChI

InChI=1S/C12H13NO2/c1-8(13-15-9(2)14)12-7-10-5-3-4-6-11(10)12/h3-6,12H,7H2,1-2H3/b13-8+

InChIKey

SAOFVFOSJVBALO-MDWZMJQESA-N

Compound name

[(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.09464 Da
Monoisotopic Mass: 1.5
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]+	204.101916	143.8
[M+Na]+	226.083858	149.6
[M-H]-	202.087364	149.5
[M+NH4]+	221.128463	157.8
[M+K]+	242.057798	151.7
[M+H-H2O]+	186.091900	132.1
[M+HCOO]-	248.092841	166.5
[M+CH3COO]-	262.108491	194.3
[M+Na-2H]-	224.069306	149.1
[M]+	203.09409142	154.6
[M]-	203.09518858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe