CID 21156107

Dtxsid50888239

Structural Information

Molecular Formula
C13H22O
SMILES
C[C@@H]1CC[C@]2(O1)C(=C)CCCC2(C)C
InChI
InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h11H,1,5-9H2,2-4H3/t11-,13+/m1/s1
InChIKey
OAYYYAODRCSGEL-YPMHNXCESA-N
Compound name
(2R,5R)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 143.9
[M+Na]+ 217.15629 150.7
[M-H]- 193.15979 149.9
[M+NH4]+ 212.20089 168.5
[M+K]+ 233.13023 149.2
[M+H-H2O]+ 177.16433 139.8
[M+HCOO]- 239.16527 161.6
[M+CH3COO]- 253.18092 183.8
[M+Na-2H]- 215.14174 147.6
[M]+ 194.16652 139.7
[M]- 194.16762 139.7
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.