CID 146155871

2416234-87-0

Structural Information

Molecular Formula
C14H17NO2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C#C
InChI
InChI=1S/C14H17NO2S/c1-5-11-8-10-9-15(7-6-12(10)18-11)13(16)17-14(2,3)4/h1,8H,6-7,9H2,2-4H3
InChIKey
LZZJJONZWVLEDN-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethynyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.098 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10528 156.7
[M+Na]+ 286.08722 166.3
[M+NH4]+ 281.13182 161.1
[M+K]+ 302.06116 158.1
[M-H]- 262.09072 149.1
[M+Na-2H]- 284.07267 156.6
[M]+ 263.09745 155.5
[M]- 263.09855 155.5
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

No patent data available for this compound.