CID 292853

Sulfide, isobutyl isopropyl

Structural Information

Molecular Formula

C₇H₁₆S

SMILES

CC(C)CSC(C)C

InChI

InChI=1S/C7H16S/c1-6(2)5-8-7(3)4/h6-7H,5H2,1-4H3

InChIKey

NAPBMSIZYSDRMH-UHFFFAOYSA-N

Compound name

2-methyl-1-propan-2-ylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 132.09727 Da
Monoisotopic Mass: 3.0
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]+	133.104546	129.1
[M+Na]+	155.086488	135.4
[M-H]-	131.089994	129.6
[M+NH4]+	150.131093	151.8
[M+K]+	171.060428	135.0
[M+H-H2O]+	115.094530	124.5
[M+HCOO]-	177.095471	144.9
[M+CH3COO]-	191.111121	176.0
[M+Na-2H]-	153.071936	129.7
[M]+	132.09672142	131.5
[M]-	132.09781858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe