CID 22172594

4-aminopyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=CN=C(N=C1N)C(=O)O
InChI
InChI=1S/C5H5N3O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChIKey
NUILQFNJMVDDJG-UHFFFAOYSA-N
Compound name
4-aminopyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

112
Patents

139.03818 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 125.0
[M+Na]+ 162.027398 133.8
[M-H]- 138.030904 124.8
[M+NH4]+ 157.072003 142.8
[M+K]+ 178.001338 132.1
[M+H-H2O]+ 122.035440 118.2
[M+HCOO]- 184.036381 146.9
[M+CH3COO]- 198.052031 171.4
[M+Na-2H]- 160.012846 132.3
[M]+ 139.03763142 122.8
[M]- 139.03872858 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