CID 5462982

Lyratol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=C)C(C=C)/C=C(\C)/CO

InChI

InChI=1S/C10H16O/c1-5-10(8(2)3)6-9(4)7-11/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+

InChIKey

NHJXCMQPMLBAMK-RMKNXTFCSA-N

Compound name

(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 152.12012 Da
Monoisotopic Mass: 3.0
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]+	153.127396	136.9
[M+Na]+	175.109338	142.4
[M-H]-	151.112844	135.5
[M+NH4]+	170.153943	157.4
[M+K]+	191.083278	140.3
[M+H-H2O]+	135.117380	132.7
[M+HCOO]-	197.118321	155.8
[M+CH3COO]-	211.133971	177.7
[M+Na-2H]-	173.094786	137.7
[M]+	152.11957142	135.1
[M]-	152.12066858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe