CID 90759225

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

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CC(C)(C1=NN=CS1)O
InChI
InChI=1S/C5H8N2OS/c1-5(2,8)4-7-6-3-9-4/h3,8H,1-2H3
InChIKey
YUASUAGMSSGALF-UHFFFAOYSA-N
Compound name
2-(1,3,4-thiadiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 129.5
[M+Na]+ 167.02496 139.9
[M+NH4]+ 162.06956 137.6
[M+K]+ 182.99890 135.4
[M-H]- 143.02846 129.0
[M+Na-2H]- 165.01041 134.1
[M]+ 144.03519 131.2
[M]- 144.03629 131.2
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