CID 247194

2-aminopyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=CN=C(N=C1C(=O)O)N
InChI
InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChIKey
GKFPFLBDQJVJIH-UHFFFAOYSA-N
Compound name
2-aminopyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

154
Patents

139.03818 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 125.0
[M+Na]+ 162.02740 133.8
[M-H]- 138.03090 124.8
[M+NH4]+ 157.07200 142.8
[M+K]+ 178.00134 132.1
[M+H-H2O]+ 122.03544 118.2
[M+HCOO]- 184.03638 146.9
[M+CH3COO]- 198.05203 171.4
[M+Na-2H]- 160.01285 132.3
[M]+ 139.03763 122.8
[M]- 139.03873 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe