CID 56935898

6z,9z-heneicosadien-11r-ol

Structural Information

Molecular Formula

C₂₁H₄₀O

SMILES

CCCCCCCCCC[C@H](/C=C\C/C=C\CCCCC)O

InChI

InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-/t21-/m0/s1

InChIKey

DMDZJDJIGNDJQK-PISUKDBQSA-N

Compound name

(6Z,9Z,11R)-henicosa-6,9-dien-11-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 308.30792 Da
Monoisotopic Mass: 8.5
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]+	309.31520	188.4
[M+Na]+	331.29714	189.5
[M-H]-	307.30064	184.7
[M+NH4]+	326.34174	202.8
[M+K]+	347.27108	184.2
[M+H-H2O]+	291.30518	181.7
[M+HCOO]-	353.30612	205.4
[M+CH3COO]-	367.32177	209.4
[M+Na-2H]-	329.28259	185.7
[M]+	308.30737	192.7
[M]-	308.30847	192.7

Literature stripe

literature stripe

Patent stripe

patents stripe