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
2
Annotation Hits

0
References

1672
Patents

240.13615 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14343 157.1
[M+Na]+ 263.12537 161.9
[M-H]- 239.12887 156.6
[M+NH4]+ 258.16997 174.5
[M+K]+ 279.09931 161.2
[M+H-H2O]+ 223.13341 151.6
[M+HCOO]- 285.13435 176.5
[M+CH3COO]- 299.15000 194.7
[M+Na-2H]- 261.11082 155.8
[M]+ 240.13560 161.4
[M]- 240.13670 161.4
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