CID 135802698

Acetyldialuric acid oxime

Structural Information

Molecular Formula
C6H7N3O5
SMILES
CC(=O)OC1C(=O)NC(=NO)NC1=O
InChI
InChI=1S/C6H7N3O5/c1-2(10)14-3-4(11)7-6(9-13)8-5(3)12/h3,13H,1H3,(H2,7,8,9,11,12)
InChIKey
JHJRBZJMMIQRKK-UHFFFAOYSA-N
Compound name
(2-hydroxyimino-4,6-dioxo-1,3-diazinan-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03857 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04585 139.0
[M+Na]+ 224.02779 146.3
[M-H]- 200.03129 137.4
[M+NH4]+ 219.07239 153.7
[M+K]+ 240.00173 144.5
[M+H-H2O]+ 184.03583 132.4
[M+HCOO]- 246.03677 156.4
[M+CH3COO]- 260.05242 179.4
[M+Na-2H]- 222.01324 142.0
[M]+ 201.03802 134.8
[M]- 201.03912 134.8
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.