CID 67458762

2-(azetidin-3-yl)-1,3-benzothiazole dihydrochloride

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1C(CN1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C10H10N2S/c1-2-4-9-8(3-1)12-10(13-9)7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKey
NLDDOQVKGDMRHM-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.05647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 130.7
[M+Na]+ 213.045688 139.4
[M-H]- 189.049194 134.8
[M+NH4]+ 208.090293 144.3
[M+K]+ 229.019628 138.0
[M+H-H2O]+ 173.053730 118.9
[M+HCOO]- 235.054671 146.5
[M+CH3COO]- 249.070321 143.6
[M+Na-2H]- 211.031136 135.3
[M]+ 190.05592142 139.8
[M]- 190.05701858 139.8
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