CID 6399038

2-oximino-1-indanone

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C2=CC=CC=C2C(=O)C1=NO
InChI
InChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2
InChIKey
CWEXMSPEUDRDPH-UHFFFAOYSA-N
Compound name
2-hydroxyimino-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

77
Patents

161.04768 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.7
[M+Na]+ 184.03690 138.1
[M-H]- 160.04040 133.9
[M+NH4]+ 179.08150 152.4
[M+K]+ 200.01084 135.5
[M+H-H2O]+ 144.04494 123.6
[M+HCOO]- 206.04588 154.4
[M+CH3COO]- 220.06153 177.8
[M+Na-2H]- 182.02235 135.9
[M]+ 161.04713 128.2
[M]- 161.04823 128.2
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