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 152.0
[M+Na]+ 247.12394 156.8
[M-H]- 223.12744 156.2
[M+NH4]+ 242.16854 170.6
[M+K]+ 263.09788 153.4
[M+H-H2O]+ 207.13198 144.8
[M+HCOO]- 269.13292 166.5
[M+CH3COO]- 283.14857 189.5
[M+Na-2H]- 245.10939 150.2
[M]+ 224.13417 148.0
[M]- 224.13527 148.0
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.