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

73
Patents

165.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 133.3
[M+Na]+ 188.050438 140.5
[M-H]- 164.053944 137.3
[M+NH4]+ 183.095043 154.2
[M+K]+ 204.024378 136.8
[M+H-H2O]+ 148.058480 127.1
[M+HCOO]- 210.059421 149.6
[M+CH3COO]- 224.075071 146.1
[M+Na-2H]- 186.035886 135.7
[M]+ 165.06067142 129.8
[M]- 165.06176858 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