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]+ 191.06375 130.7
[M+Na]+ 213.04569 139.4
[M-H]- 189.04919 134.8
[M+NH4]+ 208.09029 144.3
[M+K]+ 229.01963 138.0
[M+H-H2O]+ 173.05373 118.9
[M+HCOO]- 235.05467 146.5
[M+CH3COO]- 249.07032 143.6
[M+Na-2H]- 211.03114 135.3
[M]+ 190.05592 139.8
[M]- 190.05702 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