CID 20550235

2-(5-amino-1,3,4-thiadiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C4H7N3OS
SMILES
C(CO)C1=NN=C(S1)N
InChI
InChI=1S/C4H7N3OS/c5-4-7-6-3(9-4)1-2-8/h8H,1-2H2,(H2,5,7)
InChIKey
RBFBXGMHLCTYDB-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3,4-thiadiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

145.03099 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 125.7
[M+Na]+ 168.02021 135.3
[M-H]- 144.02371 125.7
[M+NH4]+ 163.06481 146.0
[M+K]+ 183.99415 132.9
[M+H-H2O]+ 128.02825 119.5
[M+HCOO]- 190.02919 144.0
[M+CH3COO]- 204.04484 170.3
[M+Na-2H]- 166.00566 128.8
[M]+ 145.03044 126.0
[M]- 145.03154 126.0
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