CID 5360716

22644-66-2

Structural Information

Molecular Formula
C13H24O3
SMILES
C[C@H](C1(COC(OC1)C(C)C)CC=C)OC
InChI
InChI=1S/C13H24O3/c1-6-7-13(11(4)14-5)8-15-12(10(2)3)16-9-13/h6,10-12H,1,7-9H2,2-5H3/t11-,12?,13?/m1/s1
InChIKey
PULPVVBVJILRKY-PNESKVBLSA-N
Compound name
5-[(1R)-1-methoxyethyl]-2-propan-2-yl-5-prop-2-enyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.17255 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 155.1
[M+Na]+ 251.16177 159.5
[M-H]- 227.16527 159.1
[M+NH4]+ 246.20637 172.6
[M+K]+ 267.13571 161.4
[M+H-H2O]+ 211.16981 150.0
[M+HCOO]- 273.17075 171.0
[M+CH3COO]- 287.18640 192.3
[M+Na-2H]- 249.14722 158.4
[M]+ 228.17200 156.6
[M]- 228.17310 156.6
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.