CID 22188

Terbacil

Structural Information

Molecular Formula
C9H13ClN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
InChI
InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
InChIKey
NBQCNZYJJMBDKY-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

21798
Patents

216.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07384 143.0
[M+Na]+ 239.05578 155.4
[M-H]- 215.05928 143.9
[M+NH4]+ 234.10038 160.3
[M+K]+ 255.02972 150.8
[M+H-H2O]+ 199.06382 137.9
[M+HCOO]- 261.06476 157.9
[M+CH3COO]- 275.08041 184.8
[M+Na-2H]- 237.04123 148.1
[M]+ 216.06601 146.3
[M]- 216.06711 146.3
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