CID 7131569

874754-20-8

Structural Information

Molecular Formula
C9H10ClN3O3
SMILES
C1CC1N2C(=C(C(=O)NC2=O)C(=O)CCl)N
InChI
InChI=1S/C9H10ClN3O3/c10-3-5(14)6-7(11)13(4-1-2-4)9(16)12-8(6)15/h4H,1-3,11H2,(H,12,15,16)
InChIKey
LROVKHYXVSYZMC-UHFFFAOYSA-N
Compound name
6-amino-5-(2-chloroacetyl)-1-cyclopropylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04106 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04834 151.3
[M+Na]+ 266.03028 163.6
[M-H]- 242.03378 155.2
[M+NH4]+ 261.07488 161.5
[M+K]+ 282.00422 156.5
[M+H-H2O]+ 226.03832 144.7
[M+HCOO]- 288.03926 168.2
[M+CH3COO]- 302.05491 193.3
[M+Na-2H]- 264.01573 153.8
[M]+ 243.04051 154.7
[M]- 243.04161 154.7
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

No patent data available for this compound.