CID 9588237

Brn 1452220

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CCC(=O)O/N=C/C1=CC=NC=C1
InChI
InChI=1S/C9H10N2O2/c1-2-9(12)13-11-7-8-3-5-10-6-4-8/h3-7H,2H2,1H3/b11-7+
InChIKey
PXYLOWSBIBPVFF-YRNVUSSQSA-N
Compound name
[(E)-pyridin-4-ylmethylideneamino] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.4
[M+Na]+ 201.06345 143.7
[M-H]- 177.06695 139.9
[M+NH4]+ 196.10805 155.4
[M+K]+ 217.03739 142.9
[M+H-H2O]+ 161.07149 129.0
[M+HCOO]- 223.07243 162.1
[M+CH3COO]- 237.08808 183.2
[M+Na-2H]- 199.04890 144.3
[M]+ 178.07368 138.6
[M]- 178.07478 138.6
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.