CID 820107

887581-47-7

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CC(C)N1C(=O)C=C(NC1=O)Cl
InChI
InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)
InChIKey
KGNSZFNQYGWUGX-UHFFFAOYSA-N
Compound name
6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

188.03525 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.042526 132.7
[M+Na]+ 211.024468 144.4
[M-H]- 187.027974 133.3
[M+NH4]+ 206.069073 150.6
[M+K]+ 226.998408 140.2
[M+H-H2O]+ 171.032510 127.2
[M+HCOO]- 233.033451 149.0
[M+CH3COO]- 247.049101 178.7
[M+Na-2H]- 209.009916 137.8
[M]+ 188.03470142 134.9
[M]- 188.03579858 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe