CID 16461932

2-azepan-1-yl-2-thiophen-2-yl-ethylamine

Structural Information

Molecular Formula
C12H20N2S
SMILES
C1CCCN(CC1)C(CN)C2=CC=CS2
InChI
InChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2
InChIKey
HFJGSTGLKXVXAC-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 151.7
[M+Na]+ 247.12394 158.6
[M+NH4]+ 242.16854 159.8
[M+K]+ 263.09788 153.8
[M-H]- 223.12744 154.9
[M+Na-2H]- 245.10939 156.6
[M]+ 224.13417 153.8
[M]- 224.13527 153.8
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.