CID 16725794

858954-83-3

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
COC(=O)C1=C(C(=NC(=N1)C2CC2)N)Cl
InChI
InChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKey
MDWRNPOBHVLALB-UHFFFAOYSA-N
Compound name
methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3020
Patents

227.04616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 149.8
[M+Na]+ 250.035378 161.4
[M-H]- 226.038884 154.6
[M+NH4]+ 245.079983 161.3
[M+K]+ 266.009318 156.1
[M+H-H2O]+ 210.043420 142.6
[M+HCOO]- 272.044361 167.8
[M+CH3COO]- 286.060011 193.0
[M+Na-2H]- 248.020826 153.5
[M]+ 227.04561142 154.4
[M]- 227.04670858 154.4
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