CID 43754868

Methyl 2-[(methylamino)methyl]benzoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CNCC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C10H13NO2/c1-11-7-8-5-3-4-6-9(8)10(12)13-2/h3-6,11H,7H2,1-2H3

InChIKey

NSAGTCDYXRDIMM-UHFFFAOYSA-N

Compound name

methyl 2-(methylaminomethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 179.09464 Da
Monoisotopic Mass: 1.8
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]+	180.101916	137.9
[M+Na]+	202.083858	145.0
[M-H]-	178.087364	141.8
[M+NH4]+	197.128463	157.9
[M+K]+	218.057798	143.8
[M+H-H2O]+	162.091900	131.8
[M+HCOO]-	224.092841	162.9
[M+CH3COO]-	238.108491	183.6
[M+Na-2H]-	200.069306	144.0
[M]+	179.09409142	139.3
[M]-	179.09518858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe