CID 28815

5302-27-2

Structural Information

Molecular Formula
C8H15N3O2
SMILES
CC(C)N1C(=O)NC(=O)N1C(C)C
InChI
InChI=1S/C8H15N3O2/c1-5(2)10-7(12)9-8(13)11(10)6(3)4/h5-6H,1-4H3,(H,9,12,13)
InChIKey
FUPIHZLHPHQVJZ-UHFFFAOYSA-N
Compound name
1,2-di(propan-2-yl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

185.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12370 138.9
[M+Na]+ 208.10564 149.0
[M-H]- 184.10914 138.2
[M+NH4]+ 203.15024 156.5
[M+K]+ 224.07958 147.1
[M+H-H2O]+ 168.11368 132.2
[M+HCOO]- 230.11462 157.9
[M+CH3COO]- 244.13027 181.8
[M+Na-2H]- 206.09109 140.1
[M]+ 185.11587 140.2
[M]- 185.11697 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe