CID 6399095

Isonitrosoacetone

Structural Information

Molecular Formula
C3H5NO2
SMILES
CC(=O)/C=N/O
InChI
InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+
InChIKey
OVGLVOLWBBGQHS-DUXPYHPUSA-N
Compound name
(1E)-1-hydroxyiminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

811
Patents

87.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 112.6
[M+Na]+ 110.021248 120.6
[M-H]- 86.024754 113.5
[M+NH4]+ 105.065853 136.1
[M+K]+ 125.995188 121.3
[M+H-H2O]+ 70.029290 108.3
[M+HCOO]- 132.030231 138.3
[M+CH3COO]- 146.045881 165.0
[M+Na-2H]- 108.006696 120.3
[M]+ 87.03148142 112.7
[M]- 87.03257858 112.7
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