CID 10752128

1-(1,3-benzothiazol-2-yl)piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1CN(CCC1N)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H15N3S/c13-9-5-7-15(8-6-9)12-14-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8,13H2
InChIKey
PZOCPPJEPGKJJI-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

233.09866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10594 148.6
[M+Na]+ 256.08788 157.4
[M-H]- 232.09138 153.3
[M+NH4]+ 251.13248 167.0
[M+K]+ 272.06182 152.3
[M+H-H2O]+ 216.09592 141.1
[M+HCOO]- 278.09686 164.5
[M+CH3COO]- 292.11251 160.6
[M+Na-2H]- 254.07333 151.4
[M]+ 233.09811 146.6
[M]- 233.09921 146.6
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