CID 76105

2851-08-3

Structural Information

Molecular Formula
C12H14N2S
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2S/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
FKZMOBHJSKHLCS-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

218.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 145.2
[M+Na]+ 241.07699 154.1
[M-H]- 217.08049 150.2
[M+NH4]+ 236.12159 164.6
[M+K]+ 257.05093 149.7
[M+H-H2O]+ 201.08503 137.8
[M+HCOO]- 263.08597 160.8
[M+CH3COO]- 277.10162 157.8
[M+Na-2H]- 239.06244 148.9
[M]+ 218.08722 144.5
[M]- 218.08832 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe