CID 20242835

2,2-dibromoneopentyl glycol dimethacrylate

Structural Information

Molecular Formula
C13H18Br2O4
SMILES
CC(=C)C(=O)OCC(COC(=O)C(=C)C)(CBr)CBr
InChI
InChI=1S/C13H18Br2O4/c1-9(2)11(16)18-7-13(5-14,6-15)8-19-12(17)10(3)4/h1,3,5-8H2,2,4H3
InChIKey
NYRXLHONORZJFT-UHFFFAOYSA-N
Compound name
[2,2-bis(bromomethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

395.95718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.96446 168.9
[M+Na]+ 418.94640 176.9
[M-H]- 394.94990 172.1
[M+NH4]+ 413.99100 184.5
[M+K]+ 434.92034 161.0
[M+H-H2O]+ 378.95444 175.7
[M+HCOO]- 440.95538 179.8
[M+CH3COO]- 454.97103 217.5
[M+Na-2H]- 416.93185 170.0
[M]+ 395.95663 204.7
[M]- 395.95773 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe