CID 11522480

872093-45-3

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CNN2C1=NC=C(C2=O)N
InChI
InChI=1S/C6H6N4O/c7-4-3-8-5-1-2-9-10(5)6(4)11/h1-3,9H,7H2
InChIKey
JAHVYNKPYOEURI-UHFFFAOYSA-N
Compound name
6-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 125.9
[M+Na]+ 173.04337 138.0
[M-H]- 149.04687 126.1
[M+NH4]+ 168.08797 145.2
[M+K]+ 189.01731 134.1
[M+H-H2O]+ 133.05141 118.8
[M+HCOO]- 195.05235 149.0
[M+CH3COO]- 209.06800 140.0
[M+Na-2H]- 171.02882 134.8
[M]+ 150.05360 125.3
[M]- 150.05470 125.3
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.