CID 29628

19476-85-8

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]+ 231.19548 156.8
[M+Na]+ 253.17742 160.8
[M-H]- 229.18092 160.7
[M+NH4]+ 248.22202 174.2
[M+K]+ 269.15136 163.3
[M+H-H2O]+ 213.18546 151.6
[M+HCOO]- 275.18640 172.5
[M+CH3COO]- 289.20205 193.1
[M+Na-2H]- 251.16287 160.0
[M]+ 230.18765 158.9
[M]- 230.18875 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.