CID 13085943

90370-39-1

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1CN(C(=O)NC1=O)CCC(=O)O
InChI
InChI=1S/C7H10N2O4/c10-5-1-3-9(7(13)8-5)4-2-6(11)12/h1-4H2,(H,11,12)(H,8,10,13)
InChIKey
GTULSKDBZDNBNE-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 138.3
[M+Na]+ 209.053278 144.9
[M-H]- 185.056784 136.1
[M+NH4]+ 204.097883 153.7
[M+K]+ 225.027218 142.8
[M+H-H2O]+ 169.061320 131.8
[M+HCOO]- 231.062261 153.9
[M+CH3COO]- 245.077911 175.7
[M+Na-2H]- 207.038726 141.0
[M]+ 186.06351142 134.3
[M]- 186.06460858 134.3
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.