CID 18377286

Tert-butyl 4h,5h,6h,7h-thieno[3,2-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CS2
InChI
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
InChIKey
DGYXRUYCQAYVDM-UHFFFAOYSA-N
Compound name
tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

239.098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.105276 156.0
[M+Na]+ 262.087218 163.3
[M-H]- 238.090724 159.0
[M+NH4]+ 257.131823 176.2
[M+K]+ 278.061158 161.2
[M+H-H2O]+ 222.095260 150.7
[M+HCOO]- 284.096201 169.1
[M+CH3COO]- 298.111851 188.3
[M+Na-2H]- 260.072666 157.4
[M]+ 239.09745142 158.0
[M]- 239.09854858 158.0
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