CID 28888414

2-{[2-(thiophen-2-yl)ethyl]amino}acetic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

C1=CSC(=C1)CCNCC(=O)O

InChI

InChI=1S/C8H11NO2S/c10-8(11)6-9-4-3-7-2-1-5-12-7/h1-2,5,9H,3-4,6H2,(H,10,11)

InChIKey

IVBZZWVZCBAMLG-UHFFFAOYSA-N

Compound name

2-(2-thiophen-2-ylethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.05106 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]+	186.058336	139.5
[M+Na]+	208.040278	146.1
[M-H]-	184.043784	141.8
[M+NH4]+	203.084883	160.4
[M+K]+	224.014218	143.6
[M+H-H2O]+	168.048320	133.8
[M+HCOO]-	230.049261	158.9
[M+CH3COO]-	244.064911	178.4
[M+Na-2H]-	206.025726	141.3
[M]+	185.05051142	140.9
[M]-	185.05160858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe