CID 63849420

1803601-92-4

Structural Information

Molecular Formula
C12H20N2S
SMILES
CC(C1CCCN(C1)CC2=CSC=C2)N
InChI
InChI=1S/C12H20N2S/c1-10(13)12-3-2-5-14(8-12)7-11-4-6-15-9-11/h4,6,9-10,12H,2-3,5,7-8,13H2,1H3
InChIKey
ACIPRISQWRHXBB-UHFFFAOYSA-N
Compound name
1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 151.4
[M+Na]+ 247.12394 160.6
[M+NH4]+ 242.16854 160.6
[M+K]+ 263.09788 154.1
[M-H]- 223.12744 155.3
[M+Na-2H]- 245.10939 156.5
[M]+ 224.13417 154.0
[M]- 224.13527 154.0
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.