CID 15276226

(6e)-8-oxolinalool

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C/C(=C\CCC(C)(C=C)O)/C=O

InChI

InChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+

InChIKey

HRVZNWRZLYDLBU-RMKNXTFCSA-N

Compound name

(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 168.11504 Da
Monoisotopic Mass: 1.4
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]+	169.122316	139.2
[M+Na]+	191.104258	145.6
[M-H]-	167.107764	137.9
[M+NH4]+	186.148863	159.3
[M+K]+	207.078198	143.4
[M+H-H2O]+	151.112300	135.3
[M+HCOO]-	213.113241	158.8
[M+CH3COO]-	227.128891	178.2
[M+Na-2H]-	189.089706	143.3
[M]+	168.11449142	139.8
[M]-	168.11558858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe