CID 66716145

1357247-51-8

Structural Information

Molecular Formula

C₈H₁₃N₃O₄

SMILES

CC(C)(C)OC(=O)NC1=NN=C(O1)CO

InChI

InChI=1S/C8H13N3O4/c1-8(2,3)15-7(13)9-6-11-10-5(4-12)14-6/h12H,4H2,1-3H3,(H,9,11,13)

InChIKey

XEMQYXMKQFKBDB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 215.0906 Da
Monoisotopic Mass: -0.2
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]+	216.09788	146.5
[M+Na]+	238.07982	154.2
[M-H]-	214.08332	147.4
[M+NH4]+	233.12442	162.2
[M+K]+	254.05376	154.9
[M+H-H2O]+	198.08786	139.8
[M+HCOO]-	260.08880	166.6
[M+CH3COO]-	274.10445	183.9
[M+Na-2H]-	236.06527	152.6
[M]+	215.09005	149.7
[M]-	215.09115	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe