CID 85139

4,6-dimethoxy-5-nitropyrimidine

Structural Information

Molecular Formula

C₆H₇N₃O₄

SMILES

COC1=C(C(=NC=N1)OC)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)6(13-2)8-3-7-5/h3H,1-2H3

InChIKey

VPNSJECDVDBDTA-UHFFFAOYSA-N

Compound name

4,6-dimethoxy-5-nitropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 185.04366 Da
Monoisotopic Mass: 0.6
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]+	186.05094	133.3
[M+Na]+	208.03288	146.7
[M+NH4]+	203.07748	139.9
[M+K]+	224.00682	144.8
[M-H]-	184.03638	134.6
[M+Na-2H]-	206.01833	139.3
[M]+	185.04311	135.2
[M]-	185.04421	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe