CID 134888928

Ns00117200

Structural Information

Molecular Formula

C₁₀H₁₈O₄S

SMILES

CC(=CCC/C(=C/COS(=O)(=O)O)/C)C

InChI

InChI=1S/C10H18O4S/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)/b10-7+

InChIKey

OLJYZVCOHXCPAB-JXMROGBWSA-N

Compound name

[(2E)-3,7-dimethylocta-2,6-dienyl] hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.09258 Da
Monoisotopic Mass: 2.5
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]+	235.09986	152.6
[M+Na]+	257.08180	158.5
[M-H]-	233.08530	151.2
[M+NH4]+	252.12640	170.2
[M+K]+	273.05574	155.9
[M+H-H2O]+	217.08984	147.7
[M+HCOO]-	279.09078	166.3
[M+CH3COO]-	293.10643	185.5
[M+Na-2H]-	255.06725	152.5
[M]+	234.09203	156.6
[M]-	234.09313	156.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.