CID 13258733

7-ethylidenetridecane

Structural Information

Molecular Formula

C₁₅H₃₀

SMILES

CCCCCCC(=CC)CCCCCC

InChI

InChI=1S/C15H30/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,4-5,7-14H2,1-3H3

InChIKey

IFDOUXGADWEMPU-UHFFFAOYSA-N

Compound name

7-ethylidenetridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.23476 Da
Monoisotopic Mass: 7.5
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]+	211.24204	159.1
[M+Na]+	233.22398	162.7
[M-H]-	209.22748	157.9
[M+NH4]+	228.26858	178.3
[M+K]+	249.19792	160.1
[M+H-H2O]+	193.23202	153.4
[M+HCOO]-	255.23296	179.1
[M+CH3COO]-	269.24861	193.9
[M+Na-2H]-	231.20943	160.1
[M]+	210.23421	162.4
[M]-	210.23531	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe