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 145.8
[M+Na]+ 233.10828 152.3
[M-H]- 209.11178 148.4
[M+NH4]+ 228.15288 166.7
[M+K]+ 249.08222 149.0
[M+H-H2O]+ 193.11632 139.4
[M+HCOO]- 255.11726 162.2
[M+CH3COO]- 269.13291 187.8
[M+Na-2H]- 231.09373 148.4
[M]+ 210.11851 145.8
[M]- 210.11961 145.8
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