CID 10654421

Methyl 5-aminopyrimidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H7N3O2
SMILES
COC(=O)C1=NC=C(C=N1)N
InChI
InChI=1S/C6H7N3O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,7H2,1H3
InChIKey
NYYBCNDGMLXGQQ-UHFFFAOYSA-N
Compound name
methyl 5-aminopyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

153.05383 Da
Monoisotopic Mass

-1.4
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

literature stripe

Patent stripe

patents stripe