CID 11845085

165947-55-7

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C=O
InChI
InChI=1S/C13H17NO3S/c1-13(2,3)17-12(16)14-5-4-11-9(7-14)6-10(8-15)18-11/h6,8H,4-5,7H2,1-3H3
InChIKey
LEONLAFPFCQRNM-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

267.09293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 162.2
[M+Na]+ 290.08215 171.3
[M+NH4]+ 285.12675 169.5
[M+K]+ 306.05609 166.4
[M-H]- 266.08565 161.8
[M+Na-2H]- 288.06760 164.1
[M]+ 267.09238 163.6
[M]- 267.09348 163.6
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