CID 121596

4,6-dimethoxy-2-methyl-5-nitropyrimidine

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CC1=NC(=C(C(=N1)OC)[N+](=O)[O-])OC
InChI
InChI=1S/C7H9N3O4/c1-4-8-6(13-2)5(10(11)12)7(9-4)14-3/h1-3H3
InChIKey
YOCZCPSNNGRGHZ-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-2-methyl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 137.6
[M+Na]+ 222.04853 147.3
[M-H]- 198.05203 139.8
[M+NH4]+ 217.09313 154.0
[M+K]+ 238.02247 142.8
[M+H-H2O]+ 182.05657 135.1
[M+HCOO]- 244.05751 161.9
[M+CH3COO]- 258.07316 179.6
[M+Na-2H]- 220.03398 146.5
[M]+ 199.05876 140.5
[M]- 199.05986 140.5
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