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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.131816	163.7
[M+Na]+	291.113758	170.4
[M-H]-	267.117264	166.2
[M+NH4]+	286.158363	182.3
[M+K]+	307.087698	167.6
[M+H-H2O]+	251.121800	158.1
[M+HCOO]-	313.122741	176.7
[M+CH3COO]-	327.138391	196.8
[M+Na-2H]-	289.099206	163.8
[M]+	268.12399142	164.7
[M]-	268.12508858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.