CID 22729102

4-(3-methylthiophen-2-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C10H15NS
SMILES
CC1=C(SC=C1)C2CCNCC2
InChI
InChI=1S/C10H15NS/c1-8-4-7-12-10(8)9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6H2,1H3
InChIKey
BKYSVTMISARVBY-UHFFFAOYSA-N
Compound name
4-(3-methylthiophen-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09979 139.4
[M+Na]+ 204.08173 145.9
[M-H]- 180.08523 143.2
[M+NH4]+ 199.12633 159.8
[M+K]+ 220.05567 142.2
[M+H-H2O]+ 164.08977 133.2
[M+HCOO]- 226.09071 153.9
[M+CH3COO]- 240.10636 151.5
[M+Na-2H]- 202.06718 139.6
[M]+ 181.09196 135.2
[M]- 181.09306 135.2
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

patents stripe