CID 19793487

Methyl 2-amino-3-(thiophen-3-yl)propanoate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
COC(=O)C(CC1=CSC=C1)N
InChI
InChI=1S/C8H11NO2S/c1-11-8(10)7(9)4-6-2-3-12-5-6/h2-3,5,7H,4,9H2,1H3
InChIKey
LOQJOEVPJCMGKJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-thiophen-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

185.05106 Da
Monoisotopic Mass

0.9
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

patents stripe