CID 13223304

89549-92-8

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

CNC1=C(C(=O)N(C(=O)N1C)C)C=O

InChI

InChI=1S/C8H11N3O3/c1-9-6-5(4-12)7(13)11(3)8(14)10(6)2/h4,9H,1-3H3

InChIKey

LMOMYYSBGBBWCF-UHFFFAOYSA-N

Compound name

1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 197.08005 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]+	198.08733	140.3
[M+Na]+	220.06927	153.2
[M+NH4]+	215.11387	145.9
[M+K]+	236.04321	148.6
[M-H]-	196.07277	140.2
[M+Na-2H]-	218.05472	145.0
[M]+	197.07950	141.8
[M]-	197.08060	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe