CID 6438017

5-hexadecene, 16,16-diethoxy-, (5z)-

Structural Information

Molecular Formula

C₂₀H₄₀O₂

SMILES

CCCC/C=C\CCCCCCCCCC(OCC)OCC

InChI

InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h9-10,20H,4-8,11-19H2,1-3H3/b10-9-

InChIKey

JAOYXKSQTHADHX-KTKRTIGZSA-N

Compound name

(Z)-16,16-diethoxyhexadec-5-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 312.30283 Da
Monoisotopic Mass: 7.6
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]+	313.310106	188.2
[M+Na]+	335.292048	189.7
[M-H]-	311.295554	185.9
[M+NH4]+	330.336653	203.1
[M+K]+	351.265988	186.6
[M+H-H2O]+	295.300090	181.0
[M+HCOO]-	357.301031	207.1
[M+CH3COO]-	371.316681	212.4
[M+Na-2H]-	333.277496	186.5
[M]+	312.30228142	196.3
[M]-	312.30337858	196.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe