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]+ 195.136606 143.6
[M+Na]+ 217.118548 150.1
[M-H]- 193.122054 147.2
[M+NH4]+ 212.163153 161.5
[M+K]+ 233.092488 143.7
[M+H-H2O]+ 177.126590 139.0
[M+HCOO]- 239.127531 167.7
[M+CH3COO]- 253.143181 184.2
[M+Na-2H]- 215.103996 150.6
[M]+ 194.12878142 142.1
[M]- 194.12987858 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.