CID 53396493

Methyl 6-amino-2-chloropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
COC(=O)C1=CC(=NC(=N1)Cl)N
InChI
InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4(8)10-6(7)9-3/h2H,1H3,(H2,8,9,10)
InChIKey
DZPNGOOGJKXYRF-UHFFFAOYSA-N
Compound name
methyl 6-amino-2-chloropyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

187.01485 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02213 134.1
[M+Na]+ 210.00407 144.6
[M-H]- 186.00757 135.3
[M+NH4]+ 205.04867 151.9
[M+K]+ 225.97801 141.8
[M+H-H2O]+ 170.01211 127.8
[M+HCOO]- 232.01305 152.5
[M+CH3COO]- 246.02870 181.4
[M+Na-2H]- 207.98952 140.2
[M]+ 187.01430 136.3
[M]- 187.01540 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