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 168.4
[M+Na]+ 286.08722 178.7
[M-H]- 262.09072 170.4
[M+NH4]+ 281.13182 185.6
[M+K]+ 302.06116 173.8
[M+H-H2O]+ 246.09526 156.9
[M+HCOO]- 308.09620 176.0
[M+CH3COO]- 322.11185 200.6
[M+Na-2H]- 284.07267 167.2
[M]+ 263.09745 165.2
[M]- 263.09855 165.2
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.