CID 5364660

7-methyl-6-tridecene

Structural Information

Molecular Formula

C₁₄H₂₈

SMILES

CCCCCC/C(=C/CCCCC)/C

InChI

InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h12H,4-11,13H2,1-3H3/b14-12+

InChIKey

OWBREJMGOOUEDR-WYMLVPIESA-N

Compound name

(E)-7-methyltridec-6-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.2191 Da
Monoisotopic Mass: 6.9
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]+	197.226376	154.4
[M+Na]+	219.208318	158.6
[M-H]-	195.211824	153.5
[M+NH4]+	214.252923	174.2
[M+K]+	235.182258	156.2
[M+H-H2O]+	179.216360	149.0
[M+HCOO]-	241.217301	174.9
[M+CH3COO]-	255.232951	190.9
[M+Na-2H]-	217.193766	156.1
[M]+	196.21855142	157.4
[M]-	196.21964858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe