CID 77334

5-morpholino-1,2,3,4-thiatriazole

Structural Information

Molecular Formula
C5H8N4OS
SMILES
C1COCCN1C2=NN=NS2
InChI
InChI=1S/C5H8N4OS/c1-3-10-4-2-9(1)5-6-7-8-11-5/h1-4H2
InChIKey
GRRGMQBIAJCOBQ-UHFFFAOYSA-N
Compound name
4-(thiatriazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1104
Patents

172.04189 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04917 132.1
[M+Na]+ 195.03111 140.6
[M-H]- 171.03461 134.0
[M+NH4]+ 190.07571 147.8
[M+K]+ 211.00505 140.1
[M+H-H2O]+ 155.03915 123.7
[M+HCOO]- 217.04009 145.3
[M+CH3COO]- 231.05574 144.4
[M+Na-2H]- 193.01656 135.8
[M]+ 172.04134 130.9
[M]- 172.04244 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