CID 11206081

358360-19-7

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CN2C(=CC(=O)N2C1)N
InChI
InChI=1S/C6H9N3O/c7-5-4-6(10)9-3-1-2-8(5)9/h4H,1-3,7H2
InChIKey
SLZGMEJPWRRFIO-UHFFFAOYSA-N
Compound name
7-amino-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 125.3
[M+Na]+ 162.063768 135.4
[M-H]- 138.067274 127.5
[M+NH4]+ 157.108373 148.6
[M+K]+ 178.037708 133.6
[M+H-H2O]+ 122.071810 119.0
[M+HCOO]- 184.072751 149.0
[M+CH3COO]- 198.088401 173.5
[M+Na-2H]- 160.049216 130.1
[M]+ 139.07400142 123.8
[M]- 139.07509858 123.8
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