CID 1888273

353467-24-0

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)N
InChI
InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)10-8-5-6-15(4)7-9(8)18-11(10)14/h5-7,14H2,1-4H3
InChIKey
RVNNJSVXSVSIAJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 163.3
[M+Na]+ 291.11376 170.7
[M-H]- 267.11726 166.1
[M+NH4]+ 286.15836 182.0
[M+K]+ 307.08770 167.9
[M+H-H2O]+ 251.12180 157.9
[M+HCOO]- 313.12274 176.2
[M+CH3COO]- 327.13839 198.7
[M+Na-2H]- 289.09921 162.8
[M]+ 268.12399 164.7
[M]- 268.12509 164.7
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.