CID 198903

Sydnone, 3-(2-(diethylamino)ethyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C9H18N3O2
SMILES
CCN(CC)CC[N+]1=C(C(=O)ON1)C
InChI
InChI=1S/C9H17N3O2/c1-4-11(5-2)6-7-12-8(3)9(13)14-10-12/h4-7H2,1-3H3/p+1
InChIKey
OMTDSTOXAPMDFL-UHFFFAOYSA-O
Compound name
3-[2-(diethylamino)ethyl]-4-methyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13991 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14719 144.3
[M+Na]+ 223.12913 152.5
[M-H]- 199.13263 146.5
[M+NH4]+ 218.17373 161.2
[M+K]+ 239.10307 146.8
[M+H-H2O]+ 183.13717 139.7
[M+HCOO]- 245.13811 166.4
[M+CH3COO]- 259.15376 181.0
[M+Na-2H]- 221.11458 151.3
[M]+ 200.13936 146.6
[M]- 200.14046 146.6
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.