CID 5365897

Ai3-20002

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

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

InChI

InChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,8,10,13-14H,1,6-7,9H2,2-4H3/b12-10+

InChIKey

BGAGVDYLLDRYCL-ZRDIBKRKSA-N

Compound name

(5E)-6,10-dimethylundeca-1,5,9-trien-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 194.16707 Da
Monoisotopic Mass: 4.0
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]+	195.174346	151.1
[M+Na]+	217.156288	155.5
[M-H]-	193.159794	149.2
[M+NH4]+	212.200893	170.0
[M+K]+	233.130228	152.5
[M+H-H2O]+	177.164330	146.3
[M+HCOO]-	239.165271	169.0
[M+CH3COO]-	253.180921	186.1
[M+Na-2H]-	215.141736	150.3
[M]+	194.16652142	150.4
[M]-	194.16761858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe