CID 495551

Nsc658788

Structural Information

Molecular Formula
C10H13N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)C(=O)O)N
InChI
InChI=1S/C10H13N3O5/c1-4-3-13(10(17)12-8(4)14)6-2-5(11)7(18-6)9(15)16/h3,5-7H,2,11H2,1H3,(H,15,16)(H,12,14,17)/t5-,6-,7-/m0/s1
InChIKey
RZJBKFGYCWCCIL-ACZMJKKPSA-N
Compound name
(2S,3S,5S)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08553 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.092806 153.7
[M+Na]+ 278.074748 162.7
[M-H]- 254.078254 156.5
[M+NH4]+ 273.119353 166.8
[M+K]+ 294.048688 160.4
[M+H-H2O]+ 238.082790 146.6
[M+HCOO]- 300.083731 171.5
[M+CH3COO]- 314.099381 191.6
[M+Na-2H]- 276.060196 153.9
[M]+ 255.08498142 152.0
[M]- 255.08607858 152.0
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.