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

8
Patents

171.04663 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 132.2
[M+Na]+ 194.03585 140.2
[M-H]- 170.03935 135.4
[M+NH4]+ 189.08045 149.4
[M+K]+ 210.00979 139.6
[M+H-H2O]+ 154.04389 124.5
[M+HCOO]- 216.04483 146.4
[M+CH3COO]- 230.06048 144.9
[M+Na-2H]- 192.02130 135.8
[M]+ 171.04608 130.9
[M]- 171.04718 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