CID 44146263

7,10-ethano-2,5-benzodioxocin-1,6-dione, octahydro-7-methyl-10-(1-methylethyl)-

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C)C12CCC(CC1)(C3C2C(=O)OCCOC3=O)C
InChI
InChI=1S/C16H24O4/c1-10(2)16-6-4-15(3,5-7-16)11-12(16)14(18)20-9-8-19-13(11)17/h10-12H,4-9H2,1-3H3
InChIKey
YGYYNOXSKZRUPZ-UHFFFAOYSA-N
Compound name
1-methyl-10-propan-2-yl-4,7-dioxatricyclo[8.2.2.02,9]tetradecane-3,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 190.5
[M+Na]+ 303.156668 193.6
[M-H]- 279.160174 190.4
[M+NH4]+ 298.201273 199.7
[M+K]+ 319.130608 193.8
[M+H-H2O]+ 263.164710 185.7
[M+HCOO]- 325.165651 191.7
[M+CH3COO]- 339.181301 192.2
[M+Na-2H]- 301.142116 188.8
[M]+ 280.16690142 190.1
[M]- 280.16799858 190.1
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

No patent data available for this compound.