CID 18001837

1-(thiophen-2-ylmethyl)piperidin-4-one

Structural Information

Molecular Formula
C10H13NOS
SMILES
C1CN(CCC1=O)CC2=CC=CS2
InChI
InChI=1S/C10H13NOS/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2
InChIKey
NPPMKIGUADGFMF-UHFFFAOYSA-N
Compound name
1-(thiophen-2-ylmethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

195.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 142.0
[M+Na]+ 218.06102 149.1
[M-H]- 194.06452 147.2
[M+NH4]+ 213.10562 162.4
[M+K]+ 234.03496 146.3
[M+H-H2O]+ 178.06906 135.5
[M+HCOO]- 240.07000 158.4
[M+CH3COO]- 254.08565 179.7
[M+Na-2H]- 216.04647 142.7
[M]+ 195.07125 140.4
[M]- 195.07235 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe