CID 3040235

Sydnone, 3-allyl-

Structural Information

Molecular Formula
C5H7N2O2
SMILES
C=CC[N+]1=CC(=O)ON1
InChI
InChI=1S/C5H6N2O2/c1-2-3-7-4-5(8)9-6-7/h2,4H,1,3H2/p+1
InChIKey
VTWPPXBNMVBRCH-UHFFFAOYSA-O
Compound name
3-prop-2-enyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.05075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.058026 121.0
[M+Na]+ 150.039968 131.1
[M-H]- 126.043474 122.0
[M+NH4]+ 145.084573 140.2
[M+K]+ 166.013908 124.6
[M+H-H2O]+ 110.048010 117.7
[M+HCOO]- 172.048951 143.1
[M+CH3COO]- 186.064601 158.6
[M+Na-2H]- 148.025416 131.0
[M]+ 127.05020142 120.3
[M]- 127.05129858 120.3
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

patents stripe