CID 80583408

2-azido-4-methoxypyrimidine

Structural Information

Molecular Formula
C5H5N5O
SMILES
COC1=NC(=NC=C1)N=[N+]=[N-]
InChI
InChI=1S/C5H5N5O/c1-11-4-2-3-7-5(8-4)9-10-6/h2-3H,1H3
InChIKey
GUXKICHBOQNWPG-UHFFFAOYSA-N
Compound name
2-azido-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.04941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.056686 124.9
[M+Na]+ 174.038628 133.5
[M-H]- 150.042134 129.2
[M+NH4]+ 169.083233 143.6
[M+K]+ 190.012568 128.5
[M+H-H2O]+ 134.046670 121.4
[M+HCOO]- 196.047611 155.2
[M+CH3COO]- 210.063261 177.8
[M+Na-2H]- 172.024076 138.7
[M]+ 151.04886142 124.0
[M]- 151.04995858 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.