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]+ 152.05669 124.9
[M+Na]+ 174.03863 133.5
[M-H]- 150.04213 129.2
[M+NH4]+ 169.08323 143.6
[M+K]+ 190.01257 128.5
[M+H-H2O]+ 134.04667 121.4
[M+HCOO]- 196.04761 155.2
[M+CH3COO]- 210.06326 177.8
[M+Na-2H]- 172.02408 138.7
[M]+ 151.04886 124.0
[M]- 151.04996 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.