CID 9570248

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

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c1-8(12-13-2)11-7-9-5-3-4-6-10(9)11/h3-6,11H,7H2,1-2H3/b12-8+

InChIKey

ORHMAJGJIHFIPA-XYOKQWHBSA-N

Compound name

(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methoxyethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.09972 Da
Monoisotopic Mass: 1.7
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]+	176.106996	135.4
[M+Na]+	198.088938	141.9
[M-H]-	174.092444	141.3
[M+NH4]+	193.133543	150.8
[M+K]+	214.062878	143.7
[M+H-H2O]+	158.096980	124.2
[M+HCOO]-	220.097921	159.2
[M+CH3COO]-	234.113571	190.1
[M+Na-2H]-	196.074386	142.6
[M]+	175.09917142	145.9
[M]-	175.10026858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe