CID 82330

Gold tert-dodecanethiolate

Structural Information

Molecular Formula

C₁₂H₂₆S

SMILES

CCCCCCCCCC(C)(C)S

InChI

InChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3

InChIKey

FRQQKWGDKVGLFI-UHFFFAOYSA-N

Compound name

2-methylundecane-2-thiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 23439
Patents: 202.17552 Da
Monoisotopic Mass: 5.6
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]+	203.18280	153.0
[M+Na]+	225.16474	162.4
[M+NH4]+	220.20934	161.5
[M+K]+	241.13868	153.2
[M-H]-	201.16824	153.1
[M+Na-2H]-	223.15019	155.5
[M]+	202.17497	154.9
[M]-	202.17607	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe