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

15
Patents

144.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 128.6
[M+Na]+ 167.024958 138.2
[M-H]- 143.028464 129.0
[M+NH4]+ 162.069563 149.4
[M+K]+ 182.998898 136.6
[M+H-H2O]+ 127.033000 123.0
[M+HCOO]- 189.033941 144.7
[M+CH3COO]- 203.049591 168.3
[M+Na-2H]- 165.010406 132.9
[M]+ 144.03519142 130.1
[M]- 144.03628858 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