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

0
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 143.8
[M+Na]+ 221.11347 149.9
[M-H]- 197.11697 145.3
[M+NH4]+ 216.15807 158.0
[M+K]+ 237.08741 142.8
[M+H-H2O]+ 181.12151 137.7
[M+HCOO]- 243.12245 160.1
[M+CH3COO]- 257.13810 171.3
[M+Na-2H]- 219.09892 150.6
[M]+ 198.12370 138.9
[M]- 198.12480 138.9
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.