CID 9566063

1-phenyl-1,2-propanedione-2-oxime

Structural Information

Molecular Formula
C9H9NO2
SMILES
C/C(=N\O)/C(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+
InChIKey
YPINLRNGSGGJJT-JXMROGBWSA-N
Compound name
(2E)-2-hydroxyimino-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

909
Patents

163.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.8
[M+Na]+ 186.05254 139.4
[M-H]- 162.05604 136.5
[M+NH4]+ 181.09714 152.9
[M+K]+ 202.02648 138.3
[M+H-H2O]+ 146.06058 126.8
[M+HCOO]- 208.06152 157.3
[M+CH3COO]- 222.07717 179.4
[M+Na-2H]- 184.03799 138.8
[M]+ 163.06277 132.1
[M]- 163.06387 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe