CID 135636708

29303-21-7

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CN2C(=CC=N2)NC1=O
InChI
InChI=1S/C6H7N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1,3H,2,4H2,(H,8,10)
InChIKey
JNXZEDSINKVUQD-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

137.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 126.3
[M+Na]+ 160.048128 135.2
[M-H]- 136.051634 125.4
[M+NH4]+ 155.092733 146.1
[M+K]+ 176.022068 132.6
[M+H-H2O]+ 120.056170 119.0
[M+HCOO]- 182.057111 144.6
[M+CH3COO]- 196.072761 139.1
[M+Na-2H]- 158.033576 133.3
[M]+ 137.05836142 122.7
[M]- 137.05945858 122.7
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