CID 24265081

2580241-65-0

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CN=CC=C1CC(CN)C(=O)O
InChI
InChI=1S/C9H12N2O2/c10-6-8(9(12)13)5-7-1-3-11-4-2-7/h1-4,8H,5-6,10H2,(H,12,13)
InChIKey
ZPZJQJPAGXPTPY-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-pyridin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 139.2
[M+Na]+ 203.07909 145.0
[M-H]- 179.08259 139.4
[M+NH4]+ 198.12369 156.2
[M+K]+ 219.05303 143.0
[M+H-H2O]+ 163.08713 132.3
[M+HCOO]- 225.08807 160.0
[M+CH3COO]- 239.10372 180.5
[M+Na-2H]- 201.06454 143.7
[M]+ 180.08932 136.8
[M]- 180.09042 136.8
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.