CID 213965

Sydnone, 3-(dimethylamino)-

Structural Information

Molecular Formula

C₄H₈N₃O₂

SMILES

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

InChI

InChI=1S/C4H7N3O2/c1-6(2)7-3-4(8)9-5-7/h3H,1-2H3/p+1

InChIKey

RZZRVUXBHIPLHR-UHFFFAOYSA-O

Compound name

3-(dimethylamino)-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06165 Da
Monoisotopic Mass: 0.8
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]+	131.06893	120.7
[M+Na]+	153.05087	130.1
[M-H]-	129.05437	123.4
[M+NH4]+	148.09547	140.1
[M+K]+	169.02481	125.7
[M+H-H2O]+	113.05891	116.8
[M+HCOO]-	175.05985	144.5
[M+CH3COO]-	189.07550	164.7
[M+Na-2H]-	151.03632	131.0
[M]+	130.06110	120.8
[M]-	130.06220	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.