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

53
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 125.3
[M+Na]+ 162.06377 135.4
[M-H]- 138.06727 127.5
[M+NH4]+ 157.10837 148.6
[M+K]+ 178.03771 133.6
[M+H-H2O]+ 122.07181 119.0
[M+HCOO]- 184.07275 149.0
[M+CH3COO]- 198.08840 173.5
[M+Na-2H]- 160.04922 130.1
[M]+ 139.07400 123.8
[M]- 139.07510 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