CID 145874376

Ethyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C9H11Cl2NO2S
SMILES
CCOC(=O)C(CC1=C(SC(=C1)Cl)Cl)N
InChI
InChI=1S/C9H11Cl2NO2S/c1-2-14-9(13)6(12)3-5-4-7(10)15-8(5)11/h4,6H,2-3,12H2,1H3
InChIKey
GEXZGQGKYYKZJN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.98877 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99605 156.3
[M+Na]+ 289.97799 165.2
[M-H]- 265.98149 159.6
[M+NH4]+ 285.02259 176.1
[M+K]+ 305.95193 160.2
[M+H-H2O]+ 249.98603 152.7
[M+HCOO]- 311.98697 165.5
[M+CH3COO]- 326.00262 194.1
[M+Na-2H]- 287.96344 153.6
[M]+ 266.98822 161.6
[M]- 266.98932 161.6
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