CID 11481820

1,5-dimethyl-1-vinylhex-4-enyl pivalate

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(=CCCC(C)(C=C)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C15H26O2/c1-8-15(7,11-9-10-12(2)3)17-13(16)14(4,5)6/h8,10H,1,9,11H2,2-7H3

InChIKey

ZZYCDPNQWULUFL-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-1,6-dien-3-yl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 4.7
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]+	239.200556	159.2
[M+Na]+	261.182498	164.4
[M-H]-	237.186004	159.0
[M+NH4]+	256.227103	177.5
[M+K]+	277.156438	162.9
[M+H-H2O]+	221.190540	155.1
[M+HCOO]-	283.191481	176.3
[M+CH3COO]-	297.207131	195.8
[M+Na-2H]-	259.167946	161.1
[M]+	238.19273142	162.4
[M]-	238.19382858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.