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]+ 211.126336 145.8
[M+Na]+ 233.108278 152.3
[M-H]- 209.111784 148.4
[M+NH4]+ 228.152883 166.7
[M+K]+ 249.082218 149.0
[M+H-H2O]+ 193.116320 139.4
[M+HCOO]- 255.117261 162.2
[M+CH3COO]- 269.132911 187.8
[M+Na-2H]- 231.093726 148.4
[M]+ 210.11851142 145.8
[M]- 210.11960858 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