CID 32793

Tert-dodecanethiol

Structural Information

Molecular Formula

C₁₂H₂₆S

SMILES

CC(C)C(C)(C)C(C)(C)C(C)(C)S

InChI

InChI=1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3

InChIKey

YAJYJWXEWKRTPO-UHFFFAOYSA-N

Compound name

2,3,3,4,4,5-hexamethylhexane-2-thiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 38774
Patents: 202.17552 Da
Monoisotopic Mass: 4.8
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	156.5
[M+Na]+	225.16474	164.9
[M+NH4]+	220.20934	164.4
[M+K]+	241.13868	158.9
[M-H]-	201.16824	155.1
[M+Na-2H]-	223.15019	158.4
[M]+	202.17497	158.0
[M]-	202.17607	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe