CID 62963496

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

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCOC(=O)C(CC1=CSC=C1)N
InChI
InChI=1S/C9H13NO2S/c1-2-12-9(11)8(10)5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3
InChIKey
MMKQQJNMOQUZNA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-thiophen-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 145.3
[M+Na]+ 222.05592 151.7
[M-H]- 198.05942 148.4
[M+NH4]+ 217.10052 166.1
[M+K]+ 238.02986 149.9
[M+H-H2O]+ 182.06396 139.2
[M+HCOO]- 244.06490 164.1
[M+CH3COO]- 258.08055 183.5
[M+Na-2H]- 220.04137 144.8
[M]+ 199.06615 147.2
[M]- 199.06725 147.2
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