CID 84048439

2204255-40-1

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=CNN2C1=NC(=CC2=O)CN
InChI
InChI=1S/C7H8N4O/c8-4-5-3-7(12)11-6(10-5)1-2-9-11/h1-3,9H,4,8H2
InChIKey
XUDPAUFLQFPUKN-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.06981 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 130.4
[M+Na]+ 187.059028 142.1
[M-H]- 163.062534 130.4
[M+NH4]+ 182.103633 149.2
[M+K]+ 203.032968 137.9
[M+H-H2O]+ 147.067070 123.1
[M+HCOO]- 209.068011 153.2
[M+CH3COO]- 223.083661 144.1
[M+Na-2H]- 185.044476 138.8
[M]+ 164.06926142 130.2
[M]- 164.07035858 130.2
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

patents stripe