CID 3047400

2-morpholino-1,3,4-thiadiazole hydrochloride

Structural Information

Molecular Formula
C6H9N3OS
SMILES
C1COCCN1C2=NN=CS2
InChI
InChI=1S/C6H9N3OS/c1-3-10-4-2-9(1)6-8-7-5-11-6/h5H,1-4H2
InChIKey
KPOJKEKHYUHIQE-UHFFFAOYSA-N
Compound name
4-(1,3,4-thiadiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.04663 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 132.2
[M+Na]+ 194.035848 140.2
[M-H]- 170.039354 135.4
[M+NH4]+ 189.080453 149.4
[M+K]+ 210.009788 139.6
[M+H-H2O]+ 154.043890 124.5
[M+HCOO]- 216.044831 146.4
[M+CH3COO]- 230.060481 144.9
[M+Na-2H]- 192.021296 135.8
[M]+ 171.04608142 130.9
[M]- 171.04717858 130.9
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