CID 10855546

6z,8-nonadien-2s-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C[C@@H](CCC/C=C\C=C)O

InChI

InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3-5,9-10H,1,6-8H2,2H3/b5-4-/t9-/m0/s1

InChIKey

KOFXIBPKWDCMSE-WBSSQXGSSA-N

Compound name

(2S,6Z)-nona-6,8-dien-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.12012 Da
Monoisotopic Mass: 2.4
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]+	141.12740	133.9
[M+Na]+	163.10934	139.9
[M-H]-	139.11284	132.4
[M+NH4]+	158.15394	155.0
[M+K]+	179.08328	137.8
[M+H-H2O]+	123.11738	129.5
[M+HCOO]-	185.11832	154.9
[M+CH3COO]-	199.13397	173.9
[M+Na-2H]-	161.09479	137.7
[M]+	140.11957	133.7
[M]-	140.12067	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe