CID 5459291

Caparratriene

Structural Information

Molecular Formula

C₁₅H₂₆

SMILES

C/C=C(\C)/C=C/CC(C)CCC=C(C)C

InChI

InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+

InChIKey

GIBJEWOSWWYJSK-CKGOAGCQSA-N

Compound name

(2E,4E)-3,7,11-trimethyldodeca-2,4,10-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 206.20345 Da
Monoisotopic Mass: 6.1
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]+	207.21073	156.1
[M+Na]+	229.19267	160.2
[M-H]-	205.19617	155.4
[M+NH4]+	224.23727	175.4
[M+K]+	245.16661	157.2
[M+H-H2O]+	189.20071	151.0
[M+HCOO]-	251.20165	174.7
[M+CH3COO]-	265.21730	192.3
[M+Na-2H]-	227.17812	154.9
[M]+	206.20290	156.6
[M]-	206.20400	156.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.