CID 5284507

Nerolidol

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C

InChI

InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

InChIKey

FQTLCLSUCSAZDY-SDNWHVSQSA-N

Compound name

(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 341
References: 22348
Patents: 222.19836 Da
Monoisotopic Mass: 4.6
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]+	223.205636	158.9
[M+Na]+	245.187578	163.2
[M-H]-	221.191084	156.9
[M+NH4]+	240.232183	176.9
[M+K]+	261.161518	159.7
[M+H-H2O]+	205.195620	154.4
[M+HCOO]-	267.196561	175.7
[M+CH3COO]-	281.212211	191.5
[M+Na-2H]-	243.173026	159.1
[M]+	222.19781142	159.2
[M]-	222.19890858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe