CID 750369

55326-07-3

Structural Information

Molecular Formula

C₇H₉N₃O₄

SMILES

CC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4/c1-4-5(10(13)14)6(11)9(3)7(12)8(4)2/h1-3H3

InChIKey

OSTDULKDQDIIKB-UHFFFAOYSA-N

Compound name

1,3,6-trimethyl-5-nitropyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 199.05931 Da
Monoisotopic Mass: -0.2
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]+	200.06659	137.5
[M+Na]+	222.04853	151.8
[M+NH4]+	217.09313	143.4
[M+K]+	238.02247	150.1
[M-H]-	198.05203	138.4
[M+Na-2H]-	220.03398	142.2
[M]+	199.05876	139.5
[M]-	199.05986	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe