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

9
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 154.2
[M+Na]+ 250.08722 159.8
[M-H]- 226.09072 157.0
[M+NH4]+ 245.13182 173.9
[M+K]+ 266.06116 157.5
[M+H-H2O]+ 210.09526 147.8
[M+HCOO]- 272.09620 172.4
[M+CH3COO]- 286.11185 189.5
[M+Na-2H]- 248.07267 152.8
[M]+ 227.09745 156.9
[M]- 227.09855 156.9
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