CID 18377286

230301-73-2

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 155.1
[M+Na]+ 262.08722 164.6
[M+NH4]+ 257.13182 163.5
[M+K]+ 278.06116 159.3
[M-H]- 238.09072 155.5
[M+Na-2H]- 260.07267 158.0
[M]+ 239.09745 156.9
[M]- 239.09855 156.9
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