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
2
Annotation Hits

0
References

5
Patents

280.16745 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 166.7
[M+Na]+ 303.156668 172.2
[M-H]- 279.160174 170.4
[M+NH4]+ 298.201273 180.5
[M+K]+ 319.130608 174.5
[M+H-H2O]+ 263.164710 159.5
[M+HCOO]- 325.165651 182.9
[M+CH3COO]- 339.181301 207.3
[M+Na-2H]- 301.142116 164.2
[M]+ 280.16690142 179.3
[M]- 280.16799858 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