CID 454601

Ddc-mep

Structural Information

Molecular Formula
C10H16N3O5P
SMILES
CP(=O)(O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H16N3O5P/c1-19(15,16)17-6-7-2-3-9(18-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1
InChIKey
KSYDGKZXBZYGRR-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08276 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09004 162.5
[M+Na]+ 312.07198 169.3
[M-H]- 288.07548 164.6
[M+NH4]+ 307.11658 174.9
[M+K]+ 328.04592 168.7
[M+H-H2O]+ 272.08002 152.5
[M+HCOO]- 334.08096 186.0
[M+CH3COO]- 348.09661 198.1
[M+Na-2H]- 310.05743 163.3
[M]+ 289.08221 163.2
[M]- 289.08331 163.2
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.