CID 80046

Diisopropyl trisulfide

Structural Information

Molecular Formula

C₆H₁₄S₃

SMILES

CC(C)SSSC(C)C

InChI

InChI=1S/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3

InChIKey

WUZSBMCRYUJOEU-UHFFFAOYSA-N

Compound name

2-(propan-2-yltrisulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 133
Patents: 182.02576 Da
Monoisotopic Mass: 2.9
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]+	183.03304	133.9
[M+Na]+	205.01498	139.9
[M-H]-	181.01848	133.3
[M+NH4]+	200.05958	153.8
[M+K]+	220.98892	135.9
[M+H-H2O]+	165.02302	128.3
[M+HCOO]-	227.02396	137.5
[M+CH3COO]-	241.03961	183.9
[M+Na-2H]-	203.00043	131.2
[M]+	182.02521	135.6
[M]-	182.02631	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe