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

12
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 128.6
[M+Na]+ 167.02496 138.2
[M-H]- 143.02846 129.0
[M+NH4]+ 162.06956 149.4
[M+K]+ 182.99890 136.6
[M+H-H2O]+ 127.03300 123.0
[M+HCOO]- 189.03394 144.7
[M+CH3COO]- 203.04959 168.3
[M+Na-2H]- 165.01041 132.9
[M]+ 144.03519 130.1
[M]- 144.03629 130.1
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