CID 391912

Nsc691593

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

CC(C)(C)N1C(=O)NN(C1=O)C(C)(C)C

InChI

InChI=1S/C10H19N3O2/c1-9(2,3)12-7(14)11-13(8(12)15)10(4,5)6/h1-6H3,(H,11,14)

InChIKey

IKNPRCQGQMFDNS-UHFFFAOYSA-N

Compound name

1,4-ditert-butyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 213.14772 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.15500	149.8
[M+Na]+	236.13694	160.5
[M-H]-	212.14044	149.4
[M+NH4]+	231.18154	166.8
[M+K]+	252.11088	158.1
[M+H-H2O]+	196.14498	144.2
[M+HCOO]-	258.14592	166.9
[M+CH3COO]-	272.16157	185.5
[M+Na-2H]-	234.12239	154.1
[M]+	213.14717	151.8
[M]-	213.14827	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe