CID 6442332

8-methyl-6-nonenoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₇ClO

SMILES

CC(C)/C=C/CCCCC(=O)Cl

InChI

InChI=1S/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+

InChIKey

JDZRIGWDAPNYLT-FNORWQNLSA-N

Compound name

(E)-8-methylnon-6-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 188.09679 Da
Monoisotopic Mass: 3.7
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]+	189.104066	143.3
[M+Na]+	211.086008	150.0
[M-H]-	187.089514	143.1
[M+NH4]+	206.130613	164.1
[M+K]+	227.059948	146.7
[M+H-H2O]+	171.094050	139.5
[M+HCOO]-	233.094991	160.1
[M+CH3COO]-	247.110641	184.3
[M+Na-2H]-	209.071456	145.5
[M]+	188.09624142	146.7
[M]-	188.09733858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe