CID 131704182

Pd041666

Structural Information

Molecular Formula
C6H9N3O5
SMILES
C(C(=O)O)N1C(=O)C(=O)N[C@@]1(CN)O
InChI
InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H,8,12)(H,10,11)/t6-/m1/s1
InChIKey
JWEXLSGTVYNLHH-ZCFIWIBFSA-N
Compound name
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05421 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06149 138.9
[M+Na]+ 226.04343 146.9
[M-H]- 202.04693 135.9
[M+NH4]+ 221.08803 156.3
[M+K]+ 242.01737 144.8
[M+H-H2O]+ 186.05147 134.0
[M+HCOO]- 248.05241 156.0
[M+CH3COO]- 262.06806 177.9
[M+Na-2H]- 224.02888 140.7
[M]+ 203.05366 135.1
[M]- 203.05476 135.1
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.