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]+ 168.051606 130.5
[M+Na]+ 190.033548 142.6
[M-H]- 166.037054 128.6
[M+NH4]+ 185.078153 145.7
[M+K]+ 206.007488 137.9
[M+H-H2O]+ 150.041590 122.2
[M+HCOO]- 212.042531 150.2
[M+CH3COO]- 226.058181 143.1
[M+Na-2H]- 188.018996 135.3
[M]+ 167.04378142 128.6
[M]- 167.04487858 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.