CID 44146263

71130-13-7

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]+ 281.17473 190.5
[M+Na]+ 303.15667 193.6
[M-H]- 279.16017 190.4
[M+NH4]+ 298.20127 199.7
[M+K]+ 319.13061 193.8
[M+H-H2O]+ 263.16471 185.7
[M+HCOO]- 325.16565 191.7
[M+CH3COO]- 339.18130 192.2
[M+Na-2H]- 301.14212 188.8
[M]+ 280.16690 190.1
[M]- 280.16800 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.