CID 24690104

1579809-60-1

Structural Information

Molecular Formula
C11H16N2OS
SMILES
C1CN(CC2=C1SC=C2)C(=O)CCCN
InChI
InChI=1S/C11H16N2OS/c12-5-1-2-11(14)13-6-3-10-9(8-13)4-7-15-10/h4,7H,1-3,5-6,8,12H2
InChIKey
JIFAVPPPKXRAMF-UHFFFAOYSA-N
Compound name
4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09833 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10561 149.6
[M+Na]+ 247.08755 158.5
[M+NH4]+ 242.13215 158.3
[M+K]+ 263.06149 152.4
[M-H]- 223.09105 151.3
[M+Na-2H]- 245.07300 152.6
[M]+ 224.09778 151.5
[M]- 224.09888 151.5
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.