CID 29059580

Methyl (3s)-3-amino-3-(thiophen-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C8H11NO2S
SMILES
COC(=O)C[C@H](C1=CSC=C1)N
InChI
InChI=1S/C8H11NO2S/c1-11-8(10)4-7(9)6-2-3-12-5-6/h2-3,5,7H,4,9H2,1H3/t7-/m1/s1
InChIKey
BSTUGKFLCCGLKN-SSDOTTSWSA-N
Compound name
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.05106 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 140.8
[M+Na]+ 208.04028 147.6
[M-H]- 184.04378 144.1
[M+NH4]+ 203.08488 162.1
[M+K]+ 224.01422 146.1
[M+H-H2O]+ 168.04832 134.9
[M+HCOO]- 230.04926 159.9
[M+CH3COO]- 244.06491 180.5
[M+Na-2H]- 206.02573 140.8
[M]+ 185.05051 142.3
[M]- 185.05161 142.3
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.