CID 3015281

7-chloro-7-methyl-3-methyleneoct-1-ene

Structural Information

Molecular Formula

C₁₀H₁₇Cl

SMILES

CC(C)(CCCC(=C)C=C)Cl

InChI

InChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3

InChIKey

NITSLSVRNZVJHN-UHFFFAOYSA-N

Compound name

7-chloro-7-methyl-3-methylideneoct-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.10188 Da
Monoisotopic Mass: 4.3
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]+	173.109156	139.4
[M+Na]+	195.091098	146.7
[M-H]-	171.094604	139.5
[M+NH4]+	190.135703	161.0
[M+K]+	211.065038	142.8
[M+H-H2O]+	155.099140	136.3
[M+HCOO]-	217.100081	155.3
[M+CH3COO]-	231.115731	182.6
[M+Na-2H]-	193.076546	143.5
[M]+	172.10133142	141.5
[M]-	172.10242858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe