CID 56965720

4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine

Structural Information

Molecular Formula
C6H8BrN3OS
SMILES
C1COCCN1C2=NN=C(S2)Br
InChI
InChI=1S/C6H8BrN3OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2
InChIKey
KNPRIAYJCRBMHL-UHFFFAOYSA-N
Compound name
4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.95715 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96443 135.0
[M+Na]+ 271.94637 147.5
[M-H]- 247.94987 141.5
[M+NH4]+ 266.99097 153.5
[M+K]+ 287.92031 138.3
[M+H-H2O]+ 231.95441 134.8
[M+HCOO]- 293.95535 147.9
[M+CH3COO]- 307.97100 149.9
[M+Na-2H]- 269.93182 140.2
[M]+ 248.95660 153.2
[M]- 248.95770 153.2
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