CID 5368821

Alloocimene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

C/C=C(\C)/C=C/C=C(C)C

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+

InChIKey

GQVMHMFBVWSSPF-SOYUKNQTSA-N

Compound name

(4E,6E)-2,6-dimethylocta-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 5724
Patents: 136.1252 Da
Monoisotopic Mass: 4.2
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]+	137.13248	134.9
[M+Na]+	159.11442	145.2
[M+NH4]+	154.15902	142.7
[M+K]+	175.08836	138.6
[M-H]-	135.11792	134.3
[M+Na-2H]-	157.09987	137.9
[M]+	136.12465	135.9
[M]-	136.12575	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe