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

1
Patents

135.05449 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.061766 121.8
[M+Na]+ 158.043708 130.5
[M-H]- 134.047214 126.1
[M+NH4]+ 153.088313 141.2
[M+K]+ 174.017648 125.2
[M+H-H2O]+ 118.051750 118.5
[M+HCOO]- 180.052691 151.9
[M+CH3COO]- 194.068341 175.8
[M+Na-2H]- 156.029156 135.5
[M]+ 135.05394142 119.6
[M]- 135.05503858 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

patents stripe