CID 3056977

73927-17-0

Structural Information

Molecular Formula

C₇H₁₇S

SMILES

CC(C)CC[S+](C)C

InChI

InChI=1S/C7H17S/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/q+1

InChIKey

XSJASKGAGVBFPI-UHFFFAOYSA-N

Compound name

dimethyl(3-methylbutyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 133.1051 Da
Monoisotopic Mass: 2.6
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]+	134.11238	127.2
[M+Na]+	156.09432	133.7
[M-H]-	132.09782	128.2
[M+NH4]+	151.13892	149.7
[M+K]+	172.06826	128.0
[M+H-H2O]+	116.10236	125.6
[M+HCOO]-	178.10330	143.0
[M+CH3COO]-	192.11895	169.5
[M+Na-2H]-	154.07977	130.1
[M]+	133.10455	128.2
[M]-	133.10565	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe