CID 104350

Einecs 258-240-9

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(=C)C(=O)OC1C(C(C1(C)C)OC(=O)C(=C)C)(C)C
InChI
InChI=1S/C16H24O4/c1-9(2)11(17)19-13-15(5,6)14(16(13,7)8)20-12(18)10(3)4/h13-14H,1,3H2,2,4-8H3
InChIKey
DGRRQUOLUFIUOH-UHFFFAOYSA-N
Compound name
[2,2,4,4-tetramethyl-3-(2-methylprop-2-enoyloxy)cyclobutyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.16745 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 166.7
[M+Na]+ 303.15667 172.2
[M-H]- 279.16017 170.4
[M+NH4]+ 298.20127 180.5
[M+K]+ 319.13061 174.5
[M+H-H2O]+ 263.16471 159.5
[M+HCOO]- 325.16565 182.9
[M+CH3COO]- 339.18130 207.3
[M+Na-2H]- 301.14212 164.2
[M]+ 280.16690 179.3
[M]- 280.16800 179.3
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