CID 6365526

55928-73-9

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

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

InChI

InChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h5-6,10H,4,7-8H2,1-3H3/b6-5+

InChIKey

LGAOBFAFWKTUEZ-AATRIKPKSA-N

Compound name

(E)-2-methyloct-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.13577 Da
Monoisotopic Mass: 2.3
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]+	143.14305	134.5
[M+Na]+	165.12499	144.3
[M+NH4]+	160.16959	142.0
[M+K]+	181.09893	138.5
[M-H]-	141.12849	133.2
[M+Na-2H]-	163.11044	137.6
[M]+	142.13522	135.4
[M]-	142.13632	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe