CID 135970

1-chloro-5,5,7,7-tetramethyl-2-octene

Structural Information

Molecular Formula

C₁₂H₂₃Cl

SMILES

CC(C)(C)CC(C)(C)CC=CCCl

InChI

InChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3

InChIKey

DVOYYVNTAWFQAV-UHFFFAOYSA-N

Compound name

1-chloro-5,5,7,7-tetramethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 202.14883 Da
Monoisotopic Mass: 5.0
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]+	203.15611	150.3
[M+Na]+	225.13805	157.3
[M-H]-	201.14155	150.3
[M+NH4]+	220.18265	171.1
[M+K]+	241.11199	153.5
[M+H-H2O]+	185.14609	147.2
[M+HCOO]-	247.14703	164.8
[M+CH3COO]-	261.16268	187.9
[M+Na-2H]-	223.12350	155.2
[M]+	202.14828	153.8
[M]-	202.14938	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe