CID 88215

19727-16-3

Structural Information

Molecular Formula
C14H22O5
SMILES
CCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChI
InChI=1S/C14H22O5/c1-6-14(7-15,8-18-12(16)10(2)3)9-19-13(17)11(4)5/h15H,2,4,6-9H2,1,3,5H3
InChIKey
GCNKJQRMNYNDBI-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4505
Patents

270.14673 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.154006 163.1
[M+Na]+ 293.135948 167.3
[M-H]- 269.139454 161.3
[M+NH4]+ 288.180553 178.6
[M+K]+ 309.109888 166.7
[M+H-H2O]+ 253.143990 158.2
[M+HCOO]- 315.144931 179.4
[M+CH3COO]- 329.160581 197.4
[M+Na-2H]- 291.121396 161.9
[M]+ 270.14618142 166.9
[M]- 270.14727858 166.9
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