CID 146136495

4-(1h-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C5H5N5O2
SMILES
C1=C(NN=C1)N2C(=O)NNC2=O
InChI
InChI=1S/C5H5N5O2/c11-4-8-9-5(12)10(4)3-1-2-6-7-3/h1-2H,(H,6,7)(H,8,11)(H,9,12)
InChIKey
KKBFTNKGNQXEIL-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-5-yl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04433 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05161 130.5
[M+Na]+ 190.03355 142.6
[M-H]- 166.03705 128.6
[M+NH4]+ 185.07815 145.7
[M+K]+ 206.00749 137.9
[M+H-H2O]+ 150.04159 122.2
[M+HCOO]- 212.04253 150.2
[M+CH3COO]- 226.05818 143.1
[M+Na-2H]- 188.01900 135.3
[M]+ 167.04378 128.6
[M]- 167.04488 128.6
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

No patent data available for this compound.