CID 70916

1189-08-8

Structural Information

Molecular Formula
C12H18O4
SMILES
CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C
InChI
InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3
InChIKey
VDYWHVQKENANGY-UHFFFAOYSA-N
Compound name
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

31441
Patents

226.12051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 151.8
[M+Na]+ 249.109728 156.9
[M-H]- 225.113234 151.7
[M+NH4]+ 244.154333 169.8
[M+K]+ 265.083668 157.0
[M+H-H2O]+ 209.117770 146.8
[M+HCOO]- 271.118711 170.6
[M+CH3COO]- 285.134361 192.6
[M+Na-2H]- 247.095176 149.9
[M]+ 226.11996142 155.2
[M]- 226.12105858 155.2
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