CID 11789432

2,7-octadien-4-ol, 2,4-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=CC(C)(CCC=C)O)C

InChI

InChI=1S/C10H18O/c1-5-6-7-10(4,11)8-9(2)3/h5,8,11H,1,6-7H2,2-4H3

InChIKey

FWFWNMAYCZXPKP-UHFFFAOYSA-N

Compound name

2,4-dimethylocta-2,7-dien-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.14305	137.7
[M+Na]+	177.12499	143.8
[M-H]-	153.12849	136.4
[M+NH4]+	172.16959	158.4
[M+K]+	193.09893	141.8
[M+H-H2O]+	137.13303	133.9
[M+HCOO]-	199.13397	156.8
[M+CH3COO]-	213.14962	177.2
[M+Na-2H]-	175.11044	141.7
[M]+	154.13522	137.4
[M]-	154.13632	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe