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: 88
Patents: 188.03525 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.04253	134.7
[M+Na]+	211.02447	148.8
[M+NH4]+	206.06907	141.7
[M+K]+	226.99841	143.4
[M-H]-	187.02797	134.4
[M+Na-2H]-	209.00992	140.4
[M]+	188.03470	136.7
[M]-	188.03580	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe