CID 46900520

2-azido-4-methylpyrimidine

Structural Information

Molecular Formula
C5H5N5
SMILES
CC1=NC(=NC=C1)N=[N+]=[N-]
InChI
InChI=1S/C5H5N5/c1-4-2-3-7-5(8-4)9-10-6/h2-3H,1H3
InChIKey
GYKJYQABXCUVRR-UHFFFAOYSA-N
Compound name
2-azido-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.05449 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06177 121.8
[M+Na]+ 158.04371 130.5
[M-H]- 134.04721 126.1
[M+NH4]+ 153.08831 141.2
[M+K]+ 174.01765 125.2
[M+H-H2O]+ 118.05175 118.5
[M+HCOO]- 180.05269 151.9
[M+CH3COO]- 194.06834 175.8
[M+Na-2H]- 156.02916 135.5
[M]+ 135.05394 119.6
[M]- 135.05504 119.6
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

No patent data available for this compound.