CID 91373

1-pentadecanethiol

Structural Information

Molecular Formula

C₁₅H₃₂S

SMILES

CCCCCCCCCCCCCCCS

InChI

InChI=1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3

InChIKey

IGMQODZGDORXEN-UHFFFAOYSA-N

Compound name

pentadecane-1-thiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1700
Patents: 244.22247 Da
Monoisotopic Mass: 7.7
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]+	245.22975	164.0
[M+Na]+	267.21169	173.1
[M+NH4]+	262.25629	172.2
[M+K]+	283.18563	162.1
[M-H]-	243.21519	164.6
[M+Na-2H]-	265.19714	165.9
[M]+	244.22192	165.9
[M]-	244.22302	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe