CID 155006

1,2,6-hexanetriol 1,6-diacrylate

Structural Information

Molecular Formula

C₁₂H₁₈O₅

SMILES

C=CC(=O)OCCCCC(COC(=O)C=C)O

InChI

InChI=1S/C12H18O5/c1-3-11(14)16-8-6-5-7-10(13)9-17-12(15)4-2/h3-4,10,13H,1-2,5-9H2

InChIKey

MFFPEGFXNIFWDL-UHFFFAOYSA-N

Compound name

(5-hydroxy-6-prop-2-enoyloxyhexyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 242.11542 Da
Monoisotopic Mass: 1.6
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]+	243.122696	156.1
[M+Na]+	265.104638	160.9
[M-H]-	241.108144	154.2
[M+NH4]+	260.149243	172.6
[M+K]+	281.078578	159.6
[M+H-H2O]+	225.112680	150.5
[M+HCOO]-	287.113621	175.5
[M+CH3COO]-	301.129271	190.3
[M+Na-2H]-	263.090086	156.0
[M]+	242.11487142	160.1
[M]-	242.11596858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe