CID 3059965

4,5,6,7-tetrahydro-n-propyl-6-benzothiazolemethanamine hydrochloride

Structural Information

Molecular Formula
C11H18N2S
SMILES
CCCNCC1CCC2=C(C1)SC=N2
InChI
InChI=1S/C11H18N2S/c1-2-5-12-7-9-3-4-10-11(6-9)14-8-13-10/h8-9,12H,2-7H2,1H3
InChIKey
NPNURABQPHGRPL-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.11906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12634 146.4
[M+Na]+ 233.10828 156.4
[M+NH4]+ 228.15288 156.2
[M+K]+ 249.08222 148.8
[M-H]- 209.11178 149.2
[M+Na-2H]- 231.09373 150.8
[M]+ 210.11851 149.0
[M]- 210.11961 149.0
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

patents stripe