CID 198895

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

Structural Information

Molecular Formula
C8H14N3O2
SMILES
C1CCN(C1)CC[N+]2=CC(=O)ON2
InChI
InChI=1S/C8H13N3O2/c12-8-7-11(9-13-8)6-5-10-3-1-2-4-10/h7H,1-6H2/p+1
InChIKey
JHWOJVFWYRRCKJ-UHFFFAOYSA-O
Compound name
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

184.1086 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11588 138.7
[M+Na]+ 207.09782 146.1
[M-H]- 183.10132 140.9
[M+NH4]+ 202.14242 155.4
[M+K]+ 223.07176 139.7
[M+H-H2O]+ 167.10586 133.4
[M+HCOO]- 229.10680 157.6
[M+CH3COO]- 243.12245 168.5
[M+Na-2H]- 205.08327 144.6
[M]+ 184.10805 135.8
[M]- 184.10915 135.8
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.