CID 13327012

4-(thiophen-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CNCC=C1C2=CC=CS2
InChI
InChI=1S/C9H11NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h1-3,7,10H,4-6H2
InChIKey
OSTAYIPXDDGKDP-UHFFFAOYSA-N
Compound name
4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

165.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 133.3
[M+Na]+ 188.05044 140.5
[M-H]- 164.05394 137.3
[M+NH4]+ 183.09504 154.2
[M+K]+ 204.02438 136.8
[M+H-H2O]+ 148.05848 127.1
[M+HCOO]- 210.05942 149.6
[M+CH3COO]- 224.07507 146.1
[M+Na-2H]- 186.03589 135.7
[M]+ 165.06067 129.8
[M]- 165.06177 129.8
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