CID 3023389

94070-95-8

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(=CCCC(=CCOC(=O)C(=C)C)C)C

InChI

InChI=1S/C14H22O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9H,3,6,8,10H2,1-2,4-5H3

InChIKey

DWJIEXRXQKFNAB-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-2,6-dienyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 80
Patents: 222.16199 Da
Monoisotopic Mass: 4.4
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]+	223.169266	156.0
[M+Na]+	245.151208	160.6
[M-H]-	221.154714	155.5
[M+NH4]+	240.195813	174.4
[M+K]+	261.125148	158.7
[M+H-H2O]+	205.159250	150.9
[M+HCOO]-	267.160191	174.7
[M+CH3COO]-	281.175841	193.0
[M+Na-2H]-	243.136656	154.1
[M]+	222.16144142	157.7
[M]-	222.16253858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe