CID 57971148

4-pyrimidinecarboxylic acid, 2-amino-, methyl ester

Structural Information

Molecular Formula
C6H7N3O2
SMILES
COC(=O)C1=NC(=NC=C1)N
InChI
InChI=1S/C6H7N3O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3,(H2,7,8,9)
InChIKey
IHGOYDMXENEUOO-UHFFFAOYSA-N
Compound name
methyl 2-aminopyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.1
[M+Na]+ 176.043048 138.0
[M-H]- 152.046554 130.2
[M+NH4]+ 171.087653 147.1
[M+K]+ 192.016988 137.0
[M+H-H2O]+ 136.051090 121.9
[M+HCOO]- 198.052031 152.2
[M+CH3COO]- 212.067681 176.3
[M+Na-2H]- 174.028496 136.4
[M]+ 153.05328142 129.0
[M]- 153.05437858 129.0
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