CID 89475352

2-oxo-1,3-diazinane-5-carboxylic acid

Structural Information

Molecular Formula
C5H8N2O3
SMILES
C1C(CNC(=O)N1)C(=O)O
InChI
InChI=1S/C5H8N2O3/c8-4(9)3-1-6-5(10)7-2-3/h3H,1-2H2,(H,8,9)(H2,6,7,10)
InChIKey
GNBZPNLXQHLZPX-UHFFFAOYSA-N
Compound name
2-oxo-1,3-diazinane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

144.0535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 129.6
[M+Na]+ 167.04272 135.5
[M-H]- 143.04622 126.0
[M+NH4]+ 162.08732 145.9
[M+K]+ 183.01666 133.1
[M+H-H2O]+ 127.05076 123.5
[M+HCOO]- 189.05170 144.0
[M+CH3COO]- 203.06735 164.6
[M+Na-2H]- 165.02817 133.4
[M]+ 144.05295 121.8
[M]- 144.05405 121.8
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

patents stripe