CID 103011

3-sec-butylsydnone

Structural Information

Molecular Formula

C₆H₁₁N₂O₂

SMILES

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

InChI

InChI=1S/C6H10N2O2/c1-3-5(2)8-4-6(9)10-7-8/h4-5H,3H2,1-2H3/p+1

InChIKey

SHJLCCKPLRBXKH-UHFFFAOYSA-O

Compound name

3-butan-2-yl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.08205 Da
Monoisotopic Mass: 1.5
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]+	144.08933	125.7
[M+Na]+	166.07127	138.9
[M+NH4]+	161.11587	133.6
[M+K]+	182.04521	137.4
[M-H]-	142.07477	127.7
[M+Na-2H]-	164.05672	130.8
[M]+	143.08150	128.2
[M]-	143.08260	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.