CID 111650

Methyl isopropyl trisulfide

Structural Information

Molecular Formula

C₄H₁₀S₃

SMILES

CC(C)SSSC

InChI

InChI=1S/C4H10S3/c1-4(2)6-7-5-3/h4H,1-3H3

InChIKey

ZUJLLBXDHHTMEV-UHFFFAOYSA-N

Compound name

2-(methyltrisulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.99446 Da
Monoisotopic Mass: 2.1
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]+	155.00174	125.6
[M+Na]+	176.98368	132.9
[M-H]-	152.98718	125.4
[M+NH4]+	172.02828	146.7
[M+K]+	192.95762	128.9
[M+H-H2O]+	136.99172	120.4
[M+HCOO]-	198.99266	130.9
[M+CH3COO]-	213.00831	177.5
[M+Na-2H]-	174.96913	124.6
[M]+	153.99391	127.2
[M]-	153.99501	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe