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 135.0
[M+Na]+ 195.09782 143.1
[M-H]- 171.10132 137.2
[M+NH4]+ 190.14242 152.8
[M+K]+ 211.07176 138.0
[M+H-H2O]+ 155.10586 130.5
[M+HCOO]- 217.10680 157.8
[M+CH3COO]- 231.12245 173.8
[M+Na-2H]- 193.08327 143.7
[M]+ 172.10805 136.2
[M]- 172.10915 136.2
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.