CID 3053476

Sydnone, 4-bromo-3-(dimethylamino)-

Structural Information

Molecular Formula
C4H7BrN3O2
SMILES
CN(C)[N+]1=C(C(=O)ON1)Br
InChI
InChI=1S/C4H6BrN3O2/c1-7(2)8-3(5)4(9)10-6-8/h1-2H3/p+1
InChIKey
UFFSIZZURXCJMZ-UHFFFAOYSA-O
Compound name
4-bromo-3-(dimethylamino)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97943 131.7
[M+Na]+ 230.96137 145.1
[M-H]- 206.96487 137.3
[M+NH4]+ 226.00597 151.9
[M+K]+ 246.93531 131.5
[M+H-H2O]+ 190.96941 133.3
[M+HCOO]- 252.97035 153.1
[M+CH3COO]- 266.98600 176.9
[M+Na-2H]- 228.94682 142.1
[M]+ 207.97160 151.0
[M]- 207.97270 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.