CID 16789654

954270-24-7

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]+ 197.110696 142.6
[M+Na]+ 219.092638 149.3
[M-H]- 195.096144 144.9
[M+NH4]+ 214.137243 163.7
[M+K]+ 235.066578 146.3
[M+H-H2O]+ 179.100680 136.6
[M+HCOO]- 241.101621 157.6
[M+CH3COO]- 255.117271 154.6
[M+Na-2H]- 217.078086 143.6
[M]+ 196.10287142 140.7
[M]- 196.10396858 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.