CID 9573523

1-methyl-n-[(e)-propylideneamino]pyridin-1-ium-3-carboxamide

Structural Information

Molecular Formula
C10H14N3O
SMILES
CC/C=N/NC(=O)C1=C[N+](=CC=C1)C
InChI
InChI=1S/C10H13N3O/c1-3-6-11-12-10(14)9-5-4-7-13(2)8-9/h4-8H,3H2,1-2H3/p+1/b11-6+
InChIKey
HZRDBNMEZBQWTQ-IZZDOVSWSA-O
Compound name
1-methyl-N-[(E)-propylideneamino]pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1137 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12098 141.7
[M+Na]+ 215.10292 148.7
[M-H]- 191.10642 145.8
[M+NH4]+ 210.14752 159.9
[M+K]+ 231.07686 141.6
[M+H-H2O]+ 175.11096 137.1
[M+HCOO]- 237.11190 167.6
[M+CH3COO]- 251.12755 183.1
[M+Na-2H]- 213.08837 151.0
[M]+ 192.11315 141.2
[M]- 192.11425 141.2
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.