CID 6454819

64194-22-5

Structural Information

Molecular Formula
C12H18O4
SMILES
CC(CCOC(=O)C=C)CCOC(=O)C=C
InChI
InChI=1S/C12H18O4/c1-4-11(13)15-8-6-10(3)7-9-16-12(14)5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKey
IQGIEMYBDGDBMR-UHFFFAOYSA-N
Compound name
(3-methyl-5-prop-2-enoyloxypentyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2359
Patents

226.12051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 153.8
[M+Na]+ 249.10973 161.4
[M+NH4]+ 244.15433 158.4
[M+K]+ 265.08367 157.3
[M-H]- 225.11323 150.4
[M+Na-2H]- 247.09518 154.0
[M]+ 226.11996 153.4
[M]- 226.12106 153.4
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