CID 24261810

2-(piperidin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole

Structural Information

Molecular Formula
C12H18N2S
SMILES
C1CCC2=C(C1)N=C(S2)C3CCCNC3
InChI
InChI=1S/C12H18N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h9,13H,1-8H2
InChIKey
YCLWGQNLLSBAOE-UHFFFAOYSA-N
Compound name
2-piperidin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

222.11906 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 149.2
[M+Na]+ 245.10828 159.8
[M+NH4]+ 240.15288 159.2
[M+K]+ 261.08222 152.3
[M-H]- 221.11178 152.6
[M+Na-2H]- 243.09373 154.0
[M]+ 222.11851 152.0
[M]- 222.11961 152.0
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.