CID 66523137

Methyl 2-amino-4-chloropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
COC(=O)C1=CN=C(N=C1Cl)N
InChI
InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3,(H2,8,9,10)
InChIKey
DDAVZTVPPOWERS-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-chloropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.01485 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 134.1
[M+Na]+ 210.004068 144.6
[M-H]- 186.007574 135.3
[M+NH4]+ 205.048673 151.9
[M+K]+ 225.978008 141.8
[M+H-H2O]+ 170.012110 127.8
[M+HCOO]- 232.013051 152.5
[M+CH3COO]- 246.028701 181.4
[M+Na-2H]- 207.989516 140.2
[M]+ 187.01430142 136.3
[M]- 187.01539858 136.3
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