CID 24265078

3-amino-2-[(thiophen-2-yl)methyl]propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H11NO2S
SMILES
C1=CSC(=C1)CC(CN)C(=O)O
InChI
InChI=1S/C8H11NO2S/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
InChIKey
NSOBWGRNNJBKIA-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-thiophen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.05106 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 140.7
[M+Na]+ 208.04028 147.0
[M-H]- 184.04378 142.5
[M+NH4]+ 203.08488 161.2
[M+K]+ 224.01422 144.5
[M+H-H2O]+ 168.04832 135.0
[M+HCOO]- 230.04926 158.3
[M+CH3COO]- 244.06491 178.6
[M+Na-2H]- 206.02573 140.3
[M]+ 185.05051 140.4
[M]- 185.05161 140.4
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

patents stripe