CID 29921664

160939-10-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

COC(=O)C1=CC=CC(=N1)CN

InChI

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

InChIKey

BXSRCFBJJKYNGE-UHFFFAOYSA-N

Compound name

methyl 6-(aminomethyl)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	167.081506	133.7
[M+Na]+	189.063448	141.7
[M-H]-	165.066954	135.9
[M+NH4]+	184.108053	152.6
[M+K]+	205.037388	140.4
[M+H-H2O]+	149.071490	127.0
[M+HCOO]-	211.072431	157.4
[M+CH3COO]-	225.088081	179.6
[M+Na-2H]-	187.048896	139.8
[M]+	166.07368142	133.8
[M]-	166.07477858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe