CID 8888

Nerolidol

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC(=CCCC(=CCCC(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

InChIKey

FQTLCLSUCSAZDY-UHFFFAOYSA-N

Compound name

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 340
References: 23316
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]+	223.20564	158.9
[M+Na]+	245.18758	163.2
[M-H]-	221.19108	156.9
[M+NH4]+	240.23218	176.9
[M+K]+	261.16152	159.7
[M+H-H2O]+	205.19562	154.4
[M+HCOO]-	267.19656	175.7
[M+CH3COO]-	281.21221	191.5
[M+Na-2H]-	243.17303	159.1
[M]+	222.19781	159.2
[M]-	222.19891	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe