CID 121232756

Dtxsid2052025

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

CCCC=CCC1CCCC1C

InChI

InChI=1S/C12H22/c1-3-4-5-6-9-12-10-7-8-11(12)2/h5-6,11-12H,3-4,7-10H2,1-2H3

InChIKey

MFMZXIVNESBUGW-UHFFFAOYSA-N

Compound name

1-hex-2-enyl-2-methylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.17215 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]+	167.179426	142.8
[M+Na]+	189.161368	148.1
[M-H]-	165.164874	145.4
[M+NH4]+	184.205973	165.4
[M+K]+	205.135308	145.6
[M+H-H2O]+	149.169410	137.5
[M+HCOO]-	211.170351	164.3
[M+CH3COO]-	225.186001	181.1
[M+Na-2H]-	187.146816	144.4
[M]+	166.17160142	141.2
[M]-	166.17269858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe