CID 24261831

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

Structural Information

Molecular Formula
C12H18N2S
SMILES
C1CCC2=C(C1)N=C(S2)C3CCNCC3
InChI
InChI=1S/C12H18N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h9,13H,1-8H2
InChIKey
PNQVNSYQUPHCMF-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 154.3
[M-H]- 221.11178 151.5
[M+NH4]+ 240.15288 167.3
[M+K]+ 261.08222 149.8
[M+H-H2O]+ 205.11632 141.9
[M+HCOO]- 267.11726 158.9
[M+CH3COO]- 281.13291 159.3
[M+Na-2H]- 243.09373 149.5
[M]+ 222.11851 142.4
[M]- 222.11961 142.4
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.