CID 139026733

2361645-56-7

Structural Information

Molecular Formula

C₈H₁₃N₃O₄

SMILES

CC(C)(C)OC(=O)NCC1=NOC(=O)N1

InChI

InChI=1S/C8H13N3O4/c1-8(2,3)14-6(12)9-4-5-10-7(13)15-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)

InChIKey

OAHZRMTZLIBFMK-UHFFFAOYSA-N

Compound name

tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.0906 Da
Monoisotopic Mass: 0.5
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]+	216.097876	145.9
[M+Na]+	238.079818	153.8
[M-H]-	214.083324	146.7
[M+NH4]+	233.124423	161.5
[M+K]+	254.053758	153.9
[M+H-H2O]+	198.087860	139.2
[M+HCOO]-	260.088801	166.2
[M+CH3COO]-	274.104451	183.1
[M+Na-2H]-	236.065266	152.0
[M]+	215.09005142	148.4
[M]-	215.09114858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe