CID 3071120

87330-70-9

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=CN=C1)C(=O)OCCN
InChI
InChI=1S/C8H10N2O2/c9-3-5-12-8(11)7-2-1-4-10-6-7/h1-2,4,6H,3,5,9H2
InChIKey
JYMSVNHODSJOPS-UHFFFAOYSA-N
Compound name
2-aminoethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

166.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.9
[M+Na]+ 189.06345 140.9
[M-H]- 165.06695 135.6
[M+NH4]+ 184.10805 152.4
[M+K]+ 205.03739 139.5
[M+H-H2O]+ 149.07149 126.9
[M+HCOO]- 211.07243 157.6
[M+CH3COO]- 225.08808 178.4
[M+Na-2H]- 187.04890 140.7
[M]+ 166.07368 133.6
[M]- 166.07478 133.6
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.