CID 135246898

2089158-70-1

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CN(CC(=O)OC)C1=NC=C(C=N1)O
InChI
InChI=1S/C8H11N3O3/c1-11(5-7(13)14-2)8-9-3-6(12)4-10-8/h3-4,12H,5H2,1-2H3
InChIKey
PVCPVMGEFUSFFN-UHFFFAOYSA-N
Compound name
methyl 2-[(5-hydroxypyrimidin-2-yl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.08005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 140.6
[M+Na]+ 220.069268 148.2
[M-H]- 196.072774 141.9
[M+NH4]+ 215.113873 156.9
[M+K]+ 236.043208 148.1
[M+H-H2O]+ 180.077310 132.8
[M+HCOO]- 242.078251 162.9
[M+CH3COO]- 256.093901 186.0
[M+Na-2H]- 218.054716 146.7
[M]+ 197.07950142 143.1
[M]- 197.08059858 143.1
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

patents stripe