CID 198897

Sydnone, 3-(3-(dimethylamino)propyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C8H16N3O2
SMILES
CC1=[N+](NOC1=O)CCCN(C)C
InChI
InChI=1S/C8H15N3O2/c1-7-8(12)13-9-11(7)6-4-5-10(2)3/h4-6H2,1-3H3/p+1
InChIKey
LKDQJDUJWVHJNP-UHFFFAOYSA-O
Compound name
3-[3-(dimethylamino)propyl]-4-methyl-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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13153 138.1
[M+Na]+ 209.11347 150.5
[M+NH4]+ 204.15807 145.5
[M+K]+ 225.08741 148.9
[M-H]- 185.11697 140.8
[M+Na-2H]- 207.09892 142.7
[M]+ 186.12370 140.7
[M]- 186.12480 140.7
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.