CID 106949

2-ethyl-1,3-hexanediol diacrylate

Structural Information

Molecular Formula
C14H22O4
SMILES
CCCC(C(CC)COC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C14H22O4/c1-5-9-12(18-14(16)8-4)11(6-2)10-17-13(15)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKey
IWUXTVVCZZSKON-UHFFFAOYSA-N
Compound name
(2-ethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

254.15181 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 161.8
[M+Na]+ 277.14103 166.2
[M-H]- 253.14453 161.1
[M+NH4]+ 272.18563 178.7
[M+K]+ 293.11497 165.3
[M+H-H2O]+ 237.14907 156.2
[M+HCOO]- 299.15001 180.9
[M+CH3COO]- 313.16566 197.6
[M+Na-2H]- 275.12648 160.0
[M]+ 254.15126 166.5
[M]- 254.15236 166.5
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