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]+ 256.09281 153.7
[M+Na]+ 278.07475 162.7
[M-H]- 254.07825 156.5
[M+NH4]+ 273.11935 166.8
[M+K]+ 294.04869 160.4
[M+H-H2O]+ 238.08279 146.6
[M+HCOO]- 300.08373 171.5
[M+CH3COO]- 314.09938 191.6
[M+Na-2H]- 276.06020 153.9
[M]+ 255.08498 152.0
[M]- 255.08608 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.