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: 453
Patents: 200.09833 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.10561	145.9
[M+Na]+	223.08755	156.6
[M+NH4]+	218.13215	153.1
[M+K]+	239.06149	150.3
[M-H]-	199.09105	146.9
[M+Na-2H]-	221.07300	148.7
[M]+	200.09778	148.0
[M]-	200.09888	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe