CID 16789654

2-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}propan-1-amine

Structural Information

Molecular Formula
C10H16N2S
SMILES
CC(CN)N1CCC2=C(C1)C=CS2
InChI
InChI=1S/C10H16N2S/c1-8(6-11)12-4-2-10-9(7-12)3-5-13-10/h3,5,8H,2,4,6-7,11H2,1H3
InChIKey
MQKOIUAPLLHABT-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 142.6
[M+Na]+ 219.09264 149.3
[M-H]- 195.09614 144.9
[M+NH4]+ 214.13724 163.7
[M+K]+ 235.06658 146.3
[M+H-H2O]+ 179.10068 136.6
[M+HCOO]- 241.10162 157.6
[M+CH3COO]- 255.11727 154.6
[M+Na-2H]- 217.07809 143.6
[M]+ 196.10287 140.7
[M]- 196.10397 140.7
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.