CID 17606371

2-[(5-formylpyrimidin-2-yl)(methyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CN(CC(=O)O)C1=NC=C(C=N1)C=O
InChI
InChI=1S/C8H9N3O3/c1-11(4-7(13)14)8-9-2-6(5-12)3-10-8/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey
VSXMBPJXDSWBFQ-UHFFFAOYSA-N
Compound name
2-[(5-formylpyrimidin-2-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.06439 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 139.1
[M+Na]+ 218.053608 146.9
[M-H]- 194.057114 140.3
[M+NH4]+ 213.098213 155.3
[M+K]+ 234.027548 146.2
[M+H-H2O]+ 178.061650 131.3
[M+HCOO]- 240.062591 161.5
[M+CH3COO]- 254.078241 185.8
[M+Na-2H]- 216.039056 145.2
[M]+ 195.06384142 140.9
[M]- 195.06493858 140.9
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