CID 77334

3739-70-6

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
2
Annotation Hits

0
References

626
Patents

172.04189 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.049166 132.1
[M+Na]+ 195.031108 140.6
[M-H]- 171.034614 134.0
[M+NH4]+ 190.075713 147.8
[M+K]+ 211.005048 140.1
[M+H-H2O]+ 155.039150 123.7
[M+HCOO]- 217.040091 145.3
[M+CH3COO]- 231.055741 144.4
[M+Na-2H]- 193.016556 135.8
[M]+ 172.04134142 130.9
[M]- 172.04243858 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