CID 138991090

Butyl 2-amino-3-(thiophen-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CCCCOC(=O)C(CC1=CSC=C1)N
InChI
InChI=1S/C11H17NO2S/c1-2-3-5-14-11(13)10(12)7-9-4-6-15-8-9/h4,6,8,10H,2-3,5,7,12H2,1H3
InChIKey
XPOMQSPITSDPFU-UHFFFAOYSA-N
Compound name
butyl 2-amino-3-thiophen-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.098 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 153.2
[M+Na]+ 250.08722 160.8
[M+NH4]+ 245.13182 160.7
[M+K]+ 266.06116 155.7
[M-H]- 226.09072 154.1
[M+Na-2H]- 248.07267 156.1
[M]+ 227.09745 154.6
[M]- 227.09855 154.6
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