CID 55267523

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

Structural Information

Molecular Formula
C5H8N2OS
SMILES
C1=C(N=NS1)CCCO
InChI
InChI=1S/C5H8N2OS/c8-3-1-2-5-4-9-7-6-5/h4,8H,1-3H2
InChIKey
ORYXZWJVYJBXRP-UHFFFAOYSA-N
Compound name
3-(thiadiazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 126.6
[M+Na]+ 167.024958 135.9
[M-H]- 143.028464 126.7
[M+NH4]+ 162.069563 147.3
[M+K]+ 182.998898 133.9
[M+H-H2O]+ 127.033000 120.4
[M+HCOO]- 189.033941 144.3
[M+CH3COO]- 203.049591 168.0
[M+Na-2H]- 165.010406 130.3
[M]+ 144.03519142 128.7
[M]- 144.03628858 128.7
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