CID 139597093

Ns00056888

Structural Information

Molecular Formula

C₁₈H₃₈S₅

SMILES

CC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C

InChI

InChI=1S/C18H38S5/c1-13(15(3,4)5)17(9,10)19-21-23-22-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3

InChIKey

SJERFRLYPYEROR-UHFFFAOYSA-N

Compound name

2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.1577 Da
Monoisotopic Mass: 8.5
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]+	415.164976	198.9
[M+Na]+	437.146918	199.0
[M-H]-	413.150424	193.0
[M+NH4]+	432.191523	207.5
[M+K]+	453.120858	188.7
[M+H-H2O]+	397.154960	190.2
[M+HCOO]-	459.155901	183.1
[M+CH3COO]-	473.171551	227.4
[M+Na-2H]-	435.132366	196.6
[M]+	414.15715142	195.7
[M]-	414.15824858	195.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.