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

2
Patents

127.05075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05803 121.0
[M+Na]+ 150.03997 131.1
[M-H]- 126.04347 122.0
[M+NH4]+ 145.08457 140.2
[M+K]+ 166.01391 124.6
[M+H-H2O]+ 110.04801 117.7
[M+HCOO]- 172.04895 143.1
[M+CH3COO]- 186.06460 158.6
[M+Na-2H]- 148.02542 131.0
[M]+ 127.05020 120.3
[M]- 127.05130 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