CID 16773103

4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1CC(=O)N(NC1=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9-5-6-10(15)13(12-9)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,14)(H,16,17)
InChIKey
USBCCCWZFZKVJI-UHFFFAOYSA-N
Compound name
4-(3,6-dioxodiazinan-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 149.6
[M+Na]+ 257.05328 156.6
[M-H]- 233.05678 150.9
[M+NH4]+ 252.09788 162.8
[M+K]+ 273.02722 152.9
[M+H-H2O]+ 217.06132 141.7
[M+HCOO]- 279.06226 165.3
[M+CH3COO]- 293.07791 184.9
[M+Na-2H]- 255.03873 152.1
[M]+ 234.06351 144.8
[M]- 234.06461 144.8
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.