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
3
Annotation Hits

0
References

3420
Patents

227.04616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 149.8
[M+Na]+ 250.03538 161.4
[M-H]- 226.03888 154.6
[M+NH4]+ 245.07998 161.3
[M+K]+ 266.00932 156.1
[M+H-H2O]+ 210.04342 142.6
[M+HCOO]- 272.04436 167.8
[M+CH3COO]- 286.06001 193.0
[M+Na-2H]- 248.02083 153.5
[M]+ 227.04561 154.4
[M]- 227.04671 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