CID 43646252

1154619-82-5

Structural Information

Molecular Formula
C11H18N2S
SMILES
C1CN(CCC1CN)CC2=CSC=C2
InChI
InChI=1S/C11H18N2S/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h3,6,9-10H,1-2,4-5,7-8,12H2
InChIKey
OZYFSDHOPWMWMA-UHFFFAOYSA-N
Compound name
[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12634 146.9
[M+Na]+ 233.10828 152.4
[M-H]- 209.11178 151.1
[M+NH4]+ 228.15288 166.1
[M+K]+ 249.08222 148.8
[M+H-H2O]+ 193.11632 139.7
[M+HCOO]- 255.11726 162.8
[M+CH3COO]- 269.13291 158.4
[M+Na-2H]- 231.09373 146.7
[M]+ 210.11851 143.1
[M]- 210.11961 143.1
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.