CID 198893

Sydnone, 4-methyl-3-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H16N3O2
SMILES
CC1=[N+](NOC1=O)CCN2CCCC2
InChI
InChI=1S/C9H15N3O2/c1-8-9(13)14-10-12(8)7-6-11-4-2-3-5-11/h2-7H2,1H3/p+1
InChIKey
LGJRPUJPDYYDSP-UHFFFAOYSA-O
Compound name
4-methyl-3-(2-pyrrolidin-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13153 143.4
[M+Na]+ 221.11347 151.3
[M-H]- 197.11697 145.9
[M+NH4]+ 216.15807 159.9
[M+K]+ 237.08741 144.5
[M+H-H2O]+ 181.12151 138.3
[M+HCOO]- 243.12245 162.0
[M+CH3COO]- 257.13810 172.5
[M+Na-2H]- 219.09892 148.1
[M]+ 198.12370 141.2
[M]- 198.12480 141.2
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.