CID 92036268

Einecs 288-162-0

Structural Information

Molecular Formula
C12H18O4
SMILES
CC(=CC(=O)OCCOC(=O)C=C(C)C)C
InChI
InChI=1S/C12H18O4/c1-9(2)7-11(13)15-5-6-16-12(14)8-10(3)4/h7-8H,5-6H2,1-4H3
InChIKey
KYKBPWWXHYEFPY-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enoyloxy)ethyl 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12051 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 152.8
[M+Na]+ 249.109728 158.2
[M-H]- 225.113234 152.6
[M+NH4]+ 244.154333 171.0
[M+K]+ 265.083668 157.8
[M+H-H2O]+ 209.117770 147.6
[M+HCOO]- 271.118711 172.6
[M+CH3COO]- 285.134361 190.3
[M+Na-2H]- 247.095176 152.0
[M]+ 226.11996142 156.6
[M]- 226.12105858 156.6
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

No patent data available for this compound.