CID 140375

Methyl 4-(methylamino)benzoate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CNC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3

InChIKey

LLAMGYUWYUMHCH-UHFFFAOYSA-N

Compound name

methyl 4-(methylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 165.07898 Da
Monoisotopic Mass: 2.2
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]+	166.08626	134.1
[M+Na]+	188.06820	146.0
[M+NH4]+	183.11280	142.3
[M+K]+	204.04214	140.2
[M-H]-	164.07170	136.4
[M+Na-2H]-	186.05365	141.0
[M]+	165.07843	136.3
[M]-	165.07953	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe