CID 16135

1985-51-9

Structural Information

Molecular Formula
C13H20O4
SMILES
CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C
InChI
InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3
InChIKey
ULQMPOIOSDXIGC-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31130
Patents

240.13615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14343 154.6
[M+Na]+ 263.12537 159.9
[M-H]- 239.12887 154.5
[M+NH4]+ 258.16997 172.2
[M+K]+ 279.09931 159.7
[M+H-H2O]+ 223.13341 150.0
[M+HCOO]- 285.13435 172.6
[M+CH3COO]- 299.15000 194.9
[M+Na-2H]- 261.11082 154.4
[M]+ 240.13560 158.5
[M]- 240.13670 158.5
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