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]+ 145.04302 126.6
[M+Na]+ 167.02496 135.9
[M-H]- 143.02846 126.7
[M+NH4]+ 162.06956 147.3
[M+K]+ 182.99890 133.9
[M+H-H2O]+ 127.03300 120.4
[M+HCOO]- 189.03394 144.3
[M+CH3COO]- 203.04959 168.0
[M+Na-2H]- 165.01041 130.3
[M]+ 144.03519 128.7
[M]- 144.03629 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