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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.08733	140.9
[M+Na]+	220.06927	151.6
[M+NH4]+	215.11387	146.8
[M+K]+	236.04321	148.1
[M-H]-	196.07277	140.7
[M+Na-2H]-	218.05472	146.3
[M]+	197.07950	142.0
[M]-	197.08060	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe