CID 137945328

2260932-74-7

Structural Information

Molecular Formula
C7H6N6O
SMILES
C1=CNN2C1=NC(=CC2=O)CN=[N+]=[N-]
InChI
InChI=1S/C7H6N6O/c8-12-9-4-5-3-7(14)13-6(11-5)1-2-10-13/h1-3,10H,4H2
InChIKey
RLSYZPLNBXUXBJ-UHFFFAOYSA-N
Compound name
5-(azidomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0603 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06758 132.4
[M+Na]+ 213.04952 142.9
[M-H]- 189.05302 135.6
[M+NH4]+ 208.09412 150.5
[M+K]+ 229.02346 135.0
[M+H-H2O]+ 173.05756 128.4
[M+HCOO]- 235.05850 161.5
[M+CH3COO]- 249.07415 181.3
[M+Na-2H]- 211.03497 146.3
[M]+ 190.05975 131.5
[M]- 190.06085 131.5
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.