CID 16680

Neopentyl glycol diacrylate

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

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

InChI

InChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3

InChIKey

MXFQRSUWYYSPOC-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 9307
Patents: 212.10486 Da
Monoisotopic Mass: 2.4
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]+	213.11214	148.8
[M+Na]+	235.09408	156.7
[M+NH4]+	230.13868	153.5
[M+K]+	251.06802	153.3
[M-H]-	211.09758	145.1
[M+Na-2H]-	233.07953	149.6
[M]+	212.10431	148.4
[M]-	212.10541	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe