CID 93195

36840-85-4

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

C=CC(=O)OCCCCCOC(=O)C=C

InChI

InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2

InChIKey

XAMCLRBWHRRBCN-UHFFFAOYSA-N

Compound name

5-prop-2-enoyloxypentyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5341
Patents: 212.10486 Da
Monoisotopic Mass: 2.3
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]+	213.112136	148.0
[M+Na]+	235.094078	154.0
[M-H]-	211.097584	147.7
[M+NH4]+	230.138683	166.6
[M+K]+	251.068018	152.8
[M+H-H2O]+	195.102120	142.6
[M+HCOO]-	257.103061	170.0
[M+CH3COO]-	271.118711	186.9
[M+Na-2H]-	233.079526	150.1
[M]+	212.10431142	152.8
[M]-	212.10540858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe