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]+ 228.105276 153.0
[M+Na]+ 250.087218 160.9
[M-H]- 226.090724 156.8
[M+NH4]+ 245.131823 173.6
[M+K]+ 266.061158 158.7
[M+H-H2O]+ 210.095260 147.8
[M+HCOO]- 272.096201 170.6
[M+CH3COO]- 286.111851 190.7
[M+Na-2H]- 248.072666 152.4
[M]+ 227.09745142 156.4
[M]- 227.09854858 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