CID 11264633

Fresh decan-2-one

Structural Information

Molecular Formula
C13H22O3
SMILES
CC1CCC(C2(C1)OC(C(=O)O2)C)C(C)C
InChI
InChI=1S/C13H22O3/c1-8(2)11-6-5-9(3)7-13(11)15-10(4)12(14)16-13/h8-11H,5-7H2,1-4H3
InChIKey
VUWCGGOBVYCOMA-UHFFFAOYSA-N
Compound name
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

285
Patents

226.15689 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16417 152.0
[M+Na]+ 249.14611 161.8
[M+NH4]+ 244.19071 161.5
[M+K]+ 265.12005 157.4
[M-H]- 225.14961 156.5
[M+Na-2H]- 247.13156 155.0
[M]+ 226.15634 154.7
[M]- 226.15744 154.7
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

patents stripe