CID 74910

2050-82-0

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCC(=CC(C)(C)CC)C

InChI

InChI=1S/C10H20/c1-6-9(3)8-10(4,5)7-2/h8H,6-7H2,1-5H3

InChIKey

LREOTMWEDRBPMG-UHFFFAOYSA-N

Compound name

3,5,5-trimethylhept-3-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 140.1565 Da
Monoisotopic Mass: 4.6
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]+	141.163776	134.8
[M+Na]+	163.145718	141.1
[M-H]-	139.149224	135.1
[M+NH4]+	158.190323	157.0
[M+K]+	179.119658	140.3
[M+H-H2O]+	123.153760	131.0
[M+HCOO]-	185.154701	155.1
[M+CH3COO]-	199.170351	179.0
[M+Na-2H]-	161.131166	139.4
[M]+	140.15595142	135.8
[M]-	140.15704858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe