CID 121232770

Refchem:196461

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCCCC(=C)/C(=C\C)/C

InChI

InChI=1S/C10H18/c1-5-7-8-10(4)9(3)6-2/h6H,4-5,7-8H2,1-3H3/b9-6-

InChIKey

ZGCOOSLDKQZUBA-TWGQIWQCSA-N

Compound name

(Z)-3-methyl-4-methylideneoct-2-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 0
Patents: 138.14085 Da
Monoisotopic Mass: 4.8
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]+	139.148126	134.3
[M+Na]+	161.130068	140.1
[M-H]-	137.133574	134.3
[M+NH4]+	156.174673	156.2
[M+K]+	177.104008	138.7
[M+H-H2O]+	121.138110	129.9
[M+HCOO]-	183.139051	155.2
[M+CH3COO]-	197.154701	178.6
[M+Na-2H]-	159.115516	137.0
[M]+	138.14030142	134.3
[M]-	138.14139858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.