CID 3307180

4-amino-1-((diethylamino)carbonyl)pyridinium chloride

Structural Information

Molecular Formula
C10H16N3O
SMILES
CCN(CC)C(=O)[N+]1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N3O/c1-3-12(4-2)10(14)13-7-5-9(11)6-8-13/h5-8,11H,3-4H2,1-2H3/p+1
InChIKey
UBFORGANDGMYPX-UHFFFAOYSA-O
Compound name
4-amino-N,N-diethylpyridin-1-ium-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.12933 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13661 143.6
[M+Na]+ 217.11855 150.1
[M-H]- 193.12205 147.2
[M+NH4]+ 212.16315 161.5
[M+K]+ 233.09249 143.7
[M+H-H2O]+ 177.12659 139.0
[M+HCOO]- 239.12753 167.7
[M+CH3COO]- 253.14318 184.2
[M+Na-2H]- 215.10400 150.6
[M]+ 194.12878 142.1
[M]- 194.12988 142.1
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.