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

0
Patents

185.05106 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 139.5
[M+Na]+ 208.04028 146.1
[M-H]- 184.04378 141.8
[M+NH4]+ 203.08488 160.4
[M+K]+ 224.01422 143.6
[M+H-H2O]+ 168.04832 133.8
[M+HCOO]- 230.04926 158.9
[M+CH3COO]- 244.06491 178.4
[M+Na-2H]- 206.02573 141.3
[M]+ 185.05051 140.9
[M]- 185.05161 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.