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]+ 165.07709 130.4
[M+Na]+ 187.05903 142.1
[M-H]- 163.06253 130.4
[M+NH4]+ 182.10363 149.2
[M+K]+ 203.03297 137.9
[M+H-H2O]+ 147.06707 123.1
[M+HCOO]- 209.06801 153.2
[M+CH3COO]- 223.08366 144.1
[M+Na-2H]- 185.04448 138.8
[M]+ 164.06926 130.2
[M]- 164.07036 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