CID 146049782

2413896-98-5

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1CN)C=CS2
InChI
InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-6-4-11-9(5-7-18-11)10(15)8-14/h5,7,10H,4,6,8,14H2,1-3H3
InChIKey
SXYGRARVNCGTBV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-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

268.12454 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 163.7
[M+Na]+ 291.11376 170.4
[M-H]- 267.11726 166.2
[M+NH4]+ 286.15836 182.3
[M+K]+ 307.08770 167.6
[M+H-H2O]+ 251.12180 158.1
[M+HCOO]- 313.12274 176.7
[M+CH3COO]- 327.13839 196.8
[M+Na-2H]- 289.09921 163.8
[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.