CID 6365572

Thiogeraniol

Structural Information

Molecular Formula

C₁₀H₁₈S

SMILES

CC(=CCC/C(=C/CS)/C)C

InChI

InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

InChIKey

FACAUSJJVBMWLV-JXMROGBWSA-N

Compound name

(2E)-3,7-dimethylocta-2,6-diene-1-thiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 540
Patents: 170.11292 Da
Monoisotopic Mass: 3.9
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]+	171.12020	142.9
[M+Na]+	193.10214	152.5
[M+NH4]+	188.14674	151.2
[M+K]+	209.07608	144.0
[M-H]-	169.10564	142.8
[M+Na-2H]-	191.08759	145.1
[M]+	170.11237	144.6
[M]-	170.11347	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe