CID 106045

Cyclohexane-1,4-dimethanol, diacrylate

Structural Information

Molecular Formula
C14H20O4
SMILES
C=CC(=O)OCC1CCC(CC1)COC(=O)C=C
InChI
InChI=1S/C14H20O4/c1-3-13(15)17-9-11-5-7-12(8-6-11)10-18-14(16)4-2/h3-4,11-12H,1-2,5-10H2
InChIKey
KUIDSTKCJKFHLZ-UHFFFAOYSA-N
Compound name
[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

691
Patents

252.13615 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 158.6
[M+Na]+ 275.12537 162.4
[M-H]- 251.12887 160.8
[M+NH4]+ 270.16997 175.3
[M+K]+ 291.09931 160.6
[M+H-H2O]+ 235.13341 152.3
[M+HCOO]- 297.13435 176.9
[M+CH3COO]- 311.15000 193.8
[M+Na-2H]- 273.11082 158.3
[M]+ 252.13560 158.1
[M]- 252.13670 158.1
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