CID 57356669

Bzdbqppcphhoch-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₁H₁₈S

SMILES

CCCCCC=CC=CC1CS1

InChI

InChI=1S/C11H18S/c1-2-3-4-5-6-7-8-9-11-10-12-11/h6-9,11H,2-5,10H2,1H3

InChIKey

BZDBQPPCPHHOCH-UHFFFAOYSA-N

Compound name

2-nona-1,3-dienylthiirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.11292 Da
Monoisotopic Mass: 4.3
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]+	183.120196	138.8
[M+Na]+	205.102138	146.5
[M-H]-	181.105644	142.9
[M+NH4]+	200.146743	154.7
[M+K]+	221.076078	142.3
[M+H-H2O]+	165.110180	132.2
[M+HCOO]-	227.111121	156.7
[M+CH3COO]-	241.126771	184.9
[M+Na-2H]-	203.087586	140.8
[M]+	182.11237142	143.4
[M]-	182.11346858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.