CID 3034773

66473-10-7

Structural Information

Molecular Formula
C9H16N2OS
SMILES
CCCCCCCC1=NNC(=S)O1
InChI
InChI=1S/C9H16N2OS/c1-2-3-4-5-6-7-8-10-11-9(13)12-8/h2-7H2,1H3,(H,11,13)
InChIKey
XDBMHZSJUYNNQP-UHFFFAOYSA-N
Compound name
5-heptyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

514
Patents

200.09833 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10561 143.6
[M+Na]+ 223.08755 152.4
[M-H]- 199.09105 144.0
[M+NH4]+ 218.13215 161.1
[M+K]+ 239.06149 149.6
[M+H-H2O]+ 183.09559 137.1
[M+HCOO]- 245.09653 159.3
[M+CH3COO]- 259.11218 180.3
[M+Na-2H]- 221.07300 145.2
[M]+ 200.09778 147.2
[M]- 200.09888 147.2
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