CID 544354

3-hydroxy-4-morpholino-1,2,5-thiadiazole

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1COCCN1C2=NSNC2=O
InChI
InChI=1S/C6H9N3O2S/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4H2,(H,8,10)
InChIKey
DWUZILHYAJBUBR-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1,2,5-thiadiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

34
Patents

187.04155 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 136.1
[M+Na]+ 210.03077 144.6
[M-H]- 186.03427 138.3
[M+NH4]+ 205.07537 152.1
[M+K]+ 226.00471 142.8
[M+H-H2O]+ 170.03881 128.8
[M+HCOO]- 232.03975 149.2
[M+CH3COO]- 246.05540 148.2
[M+Na-2H]- 208.01622 138.6
[M]+ 187.04100 134.0
[M]- 187.04210 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe