CID 67257370

(3-ethyl-1,2,4-thiadiazol-5-yl)methanol

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CCC1=NSC(=N1)CO
InChI
InChI=1S/C5H8N2OS/c1-2-4-6-5(3-8)9-7-4/h8H,2-3H2,1H3
InChIKey
CCHCUPNPXSIVDD-UHFFFAOYSA-N
Compound name
(3-ethyl-1,2,4-thiadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

144.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 126.5
[M+Na]+ 167.024958 136.6
[M-H]- 143.028464 127.0
[M+NH4]+ 162.069563 147.5
[M+K]+ 182.998898 134.6
[M+H-H2O]+ 127.033000 120.6
[M+HCOO]- 189.033941 144.1
[M+CH3COO]- 203.049591 169.1
[M+Na-2H]- 165.010406 129.4
[M]+ 144.03519142 128.9
[M]- 144.03628858 128.9
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