CID 83226124

Tert-butyl 2-amino-3-(thiophen-2-yl)propanoate

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CC(C)(C)OC(=O)C(CC1=CC=CS1)N
InChI
InChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)9(12)7-8-5-4-6-15-8/h4-6,9H,7,12H2,1-3H3
InChIKey
LDKDSVZOQMGQLG-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-thiophen-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.098 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 154.6
[M+Na]+ 250.08722 160.6
[M-H]- 226.09072 157.8
[M+NH4]+ 245.13182 174.5
[M+K]+ 266.06116 158.9
[M+H-H2O]+ 210.09526 149.0
[M+HCOO]- 272.09620 171.3
[M+CH3COO]- 286.11185 189.2
[M+Na-2H]- 248.07267 154.1
[M]+ 227.09745 156.7
[M]- 227.09855 156.7
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