CID 44146197

94213-59-9

Structural Information

Molecular Formula
C13H24O2
SMILES
CC1CCOC2(O1)CCC(CC2)C(C)C
InChI
InChI=1S/C13H24O2/c1-10(2)12-4-7-13(8-5-12)14-9-6-11(3)15-13/h10-12H,4-9H2,1-3H3
InChIKey
IEETZJSBEFIQRM-UHFFFAOYSA-N
Compound name
4-methyl-9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 151.2
[M+Na]+ 235.166848 154.6
[M-H]- 211.170354 156.9
[M+NH4]+ 230.211453 169.4
[M+K]+ 251.140788 155.8
[M+H-H2O]+ 195.174890 145.3
[M+HCOO]- 257.175831 164.8
[M+CH3COO]- 271.191481 187.3
[M+Na-2H]- 233.152296 155.3
[M]+ 212.17708142 146.3
[M]- 212.17817858 146.3
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

No patent data available for this compound.