CID 13922254

4-[(methylamino)methyl]benzoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CNCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)

InChIKey

FWVHRCVITNUYFV-UHFFFAOYSA-N

Compound name

4-(methylaminomethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 165.07898 Da
Monoisotopic Mass: -1.1
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]+	166.08626	134.4
[M+Na]+	188.06820	145.7
[M+NH4]+	183.11280	142.3
[M+K]+	204.04214	140.3
[M-H]-	164.07170	136.2
[M+Na-2H]-	186.05365	140.7
[M]+	165.07843	136.3
[M]-	165.07953	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe