CID 198899

Sydnone, 3-(3-(dimethylamino)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C7H14N3O2
SMILES
CN(C)CCC[N+]1=CC(=O)ON1
InChI
InChI=1S/C7H13N3O2/c1-9(2)4-3-5-10-6-7(11)12-8-10/h6H,3-5H2,1-2H3/p+1
InChIKey
UVKQOUJKPZTAQG-UHFFFAOYSA-O
Compound name
3-[3-(dimethylamino)propyl]-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.1086 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11588 133.6
[M+Na]+ 195.09782 145.8
[M+NH4]+ 190.14242 141.1
[M+K]+ 211.07176 144.3
[M-H]- 171.10132 136.3
[M+Na-2H]- 193.08327 138.7
[M]+ 172.10805 136.1
[M]- 172.10915 136.1
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.