CID 104350

52892-98-5

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 172.8
[M+Na]+ 303.15667 176.2
[M+NH4]+ 298.20127 176.1
[M+K]+ 319.13061 171.4
[M-H]- 279.16017 168.1
[M+Na-2H]- 301.14212 172.7
[M]+ 280.16690 170.7
[M]- 280.16800 170.7
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