CID 198905

Sydnone, 3-(2-(diethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H16N3O2
SMILES
CCN(CC)CC[N+]1=CC(=O)ON1
InChI
InChI=1S/C8H15N3O2/c1-3-10(4-2)5-6-11-7-8(12)13-9-11/h7H,3-6H2,1-2H3/p+1
InChIKey
LCZGWLZXBFCZQX-UHFFFAOYSA-O
Compound name
3-[2-(diethylamino)ethyl]-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.12425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13153 139.8
[M+Na]+ 209.11347 147.5
[M-H]- 185.11697 141.8
[M+NH4]+ 204.15807 157.0
[M+K]+ 225.08741 142.0
[M+H-H2O]+ 169.12151 135.1
[M+HCOO]- 231.12245 162.2
[M+CH3COO]- 245.13810 176.9
[M+Na-2H]- 207.09892 147.9
[M]+ 186.12370 141.3
[M]- 186.12480 141.3
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

No patent data available for this compound.