CID 66545214

4-(5-bromo-1,3,4-thiadiazol-2-yl)-cis-2,6-dimethylmorpholine

Structural Information

Molecular Formula
C8H12BrN3OS
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=NN=C(S2)Br
InChI
InChI=1S/C8H12BrN3OS/c1-5-3-12(4-6(2)13-5)8-11-10-7(9)14-8/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKey
YVYAMLQGTQKWOA-OLQVQODUSA-N
Compound name
(2R,6S)-4-(5-bromo-1,3,4-thiadiazol-2-yl)-2,6-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.98846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99574 144.2
[M+Na]+ 299.97768 157.4
[M-H]- 275.98118 151.0
[M+NH4]+ 295.02228 162.2
[M+K]+ 315.95162 147.6
[M+H-H2O]+ 259.98572 144.0
[M+HCOO]- 321.98666 156.3
[M+CH3COO]- 336.00231 158.9
[M+Na-2H]- 297.96313 147.1
[M]+ 276.98791 163.7
[M]- 276.98901 163.7
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

No patent data available for this compound.