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

3
Patents

195.06439 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 139.1
[M+Na]+ 218.05361 146.9
[M-H]- 194.05711 140.3
[M+NH4]+ 213.09821 155.3
[M+K]+ 234.02755 146.2
[M+H-H2O]+ 178.06165 131.3
[M+HCOO]- 240.06259 161.5
[M+CH3COO]- 254.07824 185.8
[M+Na-2H]- 216.03906 145.2
[M]+ 195.06384 140.9
[M]- 195.06494 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