CID 198931

Sydnone, 3-(2-piperidinoethyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H16N3O2
SMILES
C1CCN(CC1)CC[N+]2=CC(=O)ON2
InChI
InChI=1S/C9H15N3O2/c13-9-8-12(10-14-9)7-6-11-4-2-1-3-5-11/h8H,1-7H2/p+1
InChIKey
MBUCRJMJAPCVCQ-UHFFFAOYSA-O
Compound name
3-(2-piperidin-1-ylethyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

198.12425 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13153 141.6
[M+Na]+ 221.11347 154.5
[M+NH4]+ 216.15807 149.3
[M+K]+ 237.08741 152.0
[M-H]- 197.11697 145.1
[M+Na-2H]- 219.09892 147.3
[M]+ 198.12370 144.5
[M]- 198.12480 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.