CID 91692930

Grzyramkumzksz-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₅H₂₈O₃

SMILES

CCCCCCCCCCCCOC(=O)OC=C

InChI

InChI=1S/C15H28O3/c1-3-5-6-7-8-9-10-11-12-13-14-18-15(16)17-4-2/h4H,2-3,5-14H2,1H3

InChIKey

GRZYRAMKUMZKSZ-UHFFFAOYSA-N

Compound name

dodecyl ethenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.20386 Da
Monoisotopic Mass: 6.5
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]+	257.211136	166.9
[M+Na]+	279.193078	170.9
[M-H]-	255.196584	165.7
[M+NH4]+	274.237683	184.0
[M+K]+	295.167018	169.0
[M+H-H2O]+	239.201120	160.6
[M+HCOO]-	301.202061	187.9
[M+CH3COO]-	315.217711	197.9
[M+Na-2H]-	277.178526	168.0
[M]+	256.20331142	173.8
[M]-	256.20440858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe