CID 10351801

3-methyloct-7-en-2-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(CCCC=C)C(C)O

InChI

InChI=1S/C9H18O/c1-4-5-6-7-8(2)9(3)10/h4,8-10H,1,5-7H2,2-3H3

InChIKey

AQKLLSFYOWLPKI-UHFFFAOYSA-N

Compound name

3-methyloct-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 142.13577 Da
Monoisotopic Mass: 2.8
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	134.9
[M+Na]+	165.12499	144.2
[M+NH4]+	160.16959	142.4
[M+K]+	181.09893	138.9
[M-H]-	141.12849	133.8
[M+Na-2H]-	163.11044	137.3
[M]+	142.13522	135.6
[M]-	142.13632	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe