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

61
Patents

239.098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 156.0
[M+Na]+ 262.08722 163.3
[M-H]- 238.09072 159.0
[M+NH4]+ 257.13182 176.2
[M+K]+ 278.06116 161.2
[M+H-H2O]+ 222.09526 150.7
[M+HCOO]- 284.09620 169.1
[M+CH3COO]- 298.11185 188.3
[M+Na-2H]- 260.07267 157.4
[M]+ 239.09745 158.0
[M]- 239.09855 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