CID 151445

3-tert-butylsydnone

Structural Information

Molecular Formula

C₆H₁₁N₂O₂

SMILES

CC(C)(C)[N+]1=CC(=O)ON1

InChI

InChI=1S/C6H10N2O2/c1-6(2,3)8-4-5(9)10-7-8/h4H,1-3H3/p+1

InChIKey

YPJWMANOXFBBFC-UHFFFAOYSA-O

Compound name

3-tert-butyl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 143.08205 Da
Monoisotopic Mass: 1.2
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]+	144.08933	126.7
[M+Na]+	166.07127	136.6
[M-H]-	142.07477	128.0
[M+NH4]+	161.11587	145.6
[M+K]+	182.04521	130.9
[M+H-H2O]+	126.07931	124.0
[M+HCOO]-	188.08025	146.8
[M+CH3COO]-	202.09590	162.1
[M+Na-2H]-	164.05672	137.2
[M]+	143.08150	126.5
[M]-	143.08260	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe