CID 83645

1,5-pentanediol dimethacrylate

Structural Information

Molecular Formula

C₁₃H₂₀O₄

SMILES

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

InChI

InChI=1S/C13H20O4/c1-10(2)12(14)16-8-6-5-7-9-17-13(15)11(3)4/h1,3,5-9H2,2,4H3

InChIKey

WNGDGLDJIWDQAB-UHFFFAOYSA-N

Compound name

5-(2-methylprop-2-enoyloxy)pentyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1808
Patents: 240.13615 Da
Monoisotopic Mass: 3.6
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]+	241.143426	157.1
[M+Na]+	263.125368	161.9
[M-H]-	239.128874	156.6
[M+NH4]+	258.169973	174.5
[M+K]+	279.099308	161.2
[M+H-H2O]+	223.133410	151.6
[M+HCOO]-	285.134351	176.5
[M+CH3COO]-	299.150001	194.7
[M+Na-2H]-	261.110816	155.8
[M]+	240.13560142	161.4
[M]-	240.13669858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe