CID 352900

2-methoxy-5-nitropyrimidine

Structural Information

Molecular Formula
C5H5N3O3
SMILES
COC1=NC=C(C=N1)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O3/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
InChIKey
ZPUHFIFABZPKHA-UHFFFAOYSA-N
Compound name
2-methoxy-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

155.0331 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 125.7
[M+Na]+ 178.02232 134.5
[M-H]- 154.02582 127.4
[M+NH4]+ 173.06692 143.3
[M+K]+ 193.99626 130.1
[M+H-H2O]+ 138.03036 123.2
[M+HCOO]- 200.03130 150.5
[M+CH3COO]- 214.04695 169.1
[M+Na-2H]- 176.00777 136.8
[M]+ 155.03255 125.7
[M]- 155.03365 125.7
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