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

0
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 135.4
[M+Na]+ 198.08894 141.9
[M-H]- 174.09244 141.3
[M+NH4]+ 193.13354 150.8
[M+K]+ 214.06288 143.7
[M+H-H2O]+ 158.09698 124.2
[M+HCOO]- 220.09792 159.2
[M+CH3COO]- 234.11357 190.1
[M+Na-2H]- 196.07439 142.6
[M]+ 175.09917 145.9
[M]- 175.10027 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.