CID 487686

222737-86-2

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CCOC1=NC(=O)C=CN1[C@H]2C[C@@H]([C@H](O2)CN)O
InChI
InChI=1S/C11H17N3O4/c1-2-17-11-13-9(16)3-4-14(11)10-5-7(15)8(6-12)18-10/h3-4,7-8,10,15H,2,5-6,12H2,1H3/t7-,8+,10+/m0/s1
InChIKey
LLBXSMAQCMQQCD-QXFUBDJGSA-N
Compound name
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-2-ethoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 156.1
[M+Na]+ 278.11112 164.1
[M-H]- 254.11462 159.5
[M+NH4]+ 273.15572 169.9
[M+K]+ 294.08506 162.4
[M+H-H2O]+ 238.11916 148.1
[M+HCOO]- 300.12010 175.6
[M+CH3COO]- 314.13575 193.4
[M+Na-2H]- 276.09657 158.1
[M]+ 255.12135 156.7
[M]- 255.12245 156.7
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.