CID 50989142

1375471-89-8

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

COC(=O)C1=NC=C(C=C1)CN

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4,9H2,1H3

InChIKey

JNHVMTSSEFMSCD-UHFFFAOYSA-N

Compound name

methyl 5-(aminomethyl)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 166.07423 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.08151	133.7
[M+Na]+	189.06345	141.7
[M-H]-	165.06695	135.9
[M+NH4]+	184.10805	152.6
[M+K]+	205.03739	140.4
[M+H-H2O]+	149.07149	127.0
[M+HCOO]-	211.07243	157.4
[M+CH3COO]-	225.08808	179.6
[M+Na-2H]-	187.04890	139.8
[M]+	166.07368	133.8
[M]-	166.07478	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe