CID 2756381

Ethyl 2-amino-4-tert-butylthiophene-3-carboxylate

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CCOC(=O)C1=C(SC=C1C(C)(C)C)N
InChI
InChI=1S/C11H17NO2S/c1-5-14-10(13)8-7(11(2,3)4)6-15-9(8)12/h6H,5,12H2,1-4H3
InChIKey
IWVRKUNQDJPEOB-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-tert-butylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.098 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 153.0
[M+Na]+ 250.08722 160.9
[M-H]- 226.09072 156.8
[M+NH4]+ 245.13182 173.6
[M+K]+ 266.06116 158.7
[M+H-H2O]+ 210.09526 147.8
[M+HCOO]- 272.09620 170.6
[M+CH3COO]- 286.11185 190.7
[M+Na-2H]- 248.07267 152.4
[M]+ 227.09745 156.4
[M]- 227.09855 156.4
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