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
6
Annotation Hits

4
References

14003
Patents

212.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.8
[M+Na]+ 235.09408 153.3
[M-H]- 211.09758 146.9
[M+NH4]+ 230.13868 165.6
[M+K]+ 251.06802 152.6
[M+H-H2O]+ 195.10212 142.2
[M+HCOO]- 257.10306 167.4
[M+CH3COO]- 271.11871 187.1
[M+Na-2H]- 233.07953 150.0
[M]+ 212.10431 151.2
[M]- 212.10541 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe