CID 13775559

4-(4-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C8H7N3O3
SMILES
C1=CC(=CC=C1N2C(=O)NNC2=O)O
InChI
InChI=1S/C8H7N3O3/c12-6-3-1-5(2-4-6)11-7(13)9-10-8(11)14/h1-4,12H,(H,9,13)(H,10,14)
InChIKey
BHJDBILLLRDWSS-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.04874 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 137.5
[M+Na]+ 216.037958 148.4
[M-H]- 192.041464 137.6
[M+NH4]+ 211.082563 152.8
[M+K]+ 232.011898 143.4
[M+H-H2O]+ 176.046000 130.0
[M+HCOO]- 238.046941 157.0
[M+CH3COO]- 252.062591 173.0
[M+Na-2H]- 214.023406 142.3
[M]+ 193.04819142 135.2
[M]- 193.04928858 135.2
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