CID 61993589

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

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CC(C)(C1=NN=C(S1)N)O
InChI
InChI=1S/C5H9N3OS/c1-5(2,9)3-7-8-4(6)10-3/h9H,1-2H3,(H2,6,8)
InChIKey
BIUYRMJRSVCGMA-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 132.3
[M+Na]+ 182.035848 141.7
[M-H]- 158.039354 132.4
[M+NH4]+ 177.080453 152.0
[M+K]+ 198.009788 139.4
[M+H-H2O]+ 142.043890 126.5
[M+HCOO]- 204.044831 148.6
[M+CH3COO]- 218.060481 173.6
[M+Na-2H]- 180.021296 135.5
[M]+ 159.04608142 132.3
[M]- 159.04717858 132.3
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

No patent data available for this compound.