CID 20826205

Methyl 5-(aminomethyl)-2-hydroxybenzoate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,5,10H2,1H3

InChIKey

GBALCHZEMJDMBG-UHFFFAOYSA-N

Compound name

methyl 5-(aminomethyl)-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 181.0739 Da
Monoisotopic Mass: 1.2
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]+	182.08118	137.5
[M+Na]+	204.06312	148.4
[M+NH4]+	199.10772	144.6
[M+K]+	220.03706	143.9
[M-H]-	180.06662	138.5
[M+Na-2H]-	202.04857	142.5
[M]+	181.07335	139.0
[M]-	181.07445	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe