CID 6506666

1-acetylbenzocyclobutene oxime

Structural Information

Molecular Formula
C10H11NO
SMILES
C/C(=N/O)/C1CC2=CC=CC=C12
InChI
InChI=1S/C10H11NO/c1-7(11-12)10-6-8-4-2-3-5-9(8)10/h2-5,10,12H,6H2,1H3/b11-7-
InChIKey
OEECJXXNEJIBMM-XFFZJAGNSA-N
Compound name
(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.9
[M+Na]+ 184.07328 138.4
[M-H]- 160.07678 136.6
[M+NH4]+ 179.11788 147.1
[M+K]+ 200.04722 139.6
[M+H-H2O]+ 144.08132 121.1
[M+HCOO]- 206.08226 154.5
[M+CH3COO]- 220.09791 184.6
[M+Na-2H]- 182.05873 139.2
[M]+ 161.08351 140.3
[M]- 161.08461 140.3
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

patents stripe