CID 50988284

2-(azetidin-3-yloxy)-1,3-thiazole dihydrochloride

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1C(CN1)OC2=NC=CS2
InChI
InChI=1S/C6H8N2OS/c1-2-10-6(8-1)9-5-3-7-4-5/h1-2,5,7H,3-4H2
InChIKey
YIOXSECGDVLEBV-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yloxy)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 122.6
[M+Na]+ 179.02496 129.0
[M-H]- 155.02846 125.3
[M+NH4]+ 174.06956 135.8
[M+K]+ 194.99890 130.0
[M+H-H2O]+ 139.03300 110.5
[M+HCOO]- 201.03394 138.3
[M+CH3COO]- 215.04959 173.0
[M+Na-2H]- 177.01041 125.7
[M]+ 156.03519 130.7
[M]- 156.03629 130.7
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