CID 165997398

2386947-99-3

Structural Information

Molecular Formula
C13H20O3
SMILES
C1CC2(CCC1=O)CCC3(CC2)OCCO3
InChI
InChI=1S/C13H20O3/c14-11-1-3-12(4-2-11)5-7-13(8-6-12)15-9-10-16-13/h1-10H2
InChIKey
ZJEAKLAMQNDCKI-UHFFFAOYSA-N
Compound name
1,4-dioxadispiro[4.2.58.25]pentadecan-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 151.4
[M+Na]+ 247.13047 155.3
[M-H]- 223.13397 158.9
[M+NH4]+ 242.17507 172.5
[M+K]+ 263.10441 155.5
[M+H-H2O]+ 207.13851 145.6
[M+HCOO]- 269.13945 165.6
[M+CH3COO]- 283.15510 162.8
[M+Na-2H]- 245.11592 156.5
[M]+ 224.14070 143.9
[M]- 224.14180 143.9
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.