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]+ 157.043016 122.6
[M+Na]+ 179.024958 129.0
[M-H]- 155.028464 125.3
[M+NH4]+ 174.069563 135.8
[M+K]+ 194.998898 130.0
[M+H-H2O]+ 139.033000 110.5
[M+HCOO]- 201.033941 138.3
[M+CH3COO]- 215.049591 173.0
[M+Na-2H]- 177.010406 125.7
[M]+ 156.03519142 130.7
[M]- 156.03628858 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