CID 29628

Dtxsid40941226

Structural Information

Molecular Formula
C13H26O3
SMILES
CCCC1(COC(OC1)C)C(C)OC(C)C
InChI
InChI=1S/C13H26O3/c1-6-7-13(11(4)16-10(2)3)8-14-12(5)15-9-13/h10-12H,6-9H2,1-5H3
InChIKey
YPZUJHGPKMAZLO-UHFFFAOYSA-N
Compound name
2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.195476 156.8
[M+Na]+ 253.177418 160.8
[M-H]- 229.180924 160.7
[M+NH4]+ 248.222023 174.2
[M+K]+ 269.151358 163.3
[M+H-H2O]+ 213.185460 151.6
[M+HCOO]- 275.186401 172.5
[M+CH3COO]- 289.202051 193.1
[M+Na-2H]- 251.162866 160.0
[M]+ 230.18765142 158.9
[M]- 230.18874858 158.9
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.