CID 161941

Trimethylolpropane diacrylate

Structural Information

Molecular Formula

C₁₂H₁₈O₅

SMILES

CCC(CO)(COC(=O)C=C)COC(=O)C=C

InChI

InChI=1S/C12H18O5/c1-4-10(14)16-8-12(6-3,7-13)9-17-11(15)5-2/h4-5,13H,1-2,6-9H2,3H3

InChIKey

TUOBEAZXHLTYLF-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8623
Patents: 242.11542 Da
Monoisotopic Mass: 1.5
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]+	243.122696	155.1
[M+Na]+	265.104638	160.6
[M-H]-	241.108144	153.4
[M+NH4]+	260.149243	171.8
[M+K]+	281.078578	159.3
[M+H-H2O]+	225.112680	150.2
[M+HCOO]-	287.113621	174.0
[M+CH3COO]-	301.129271	189.6
[M+Na-2H]-	263.090086	157.2
[M]+	242.11487142	159.4
[M]-	242.11596858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe