CID 31460

M-dioxane, 5-(2-methoxyethyl)-2,5-dimethyl-, (z)-

Structural Information

Molecular Formula
C9H18O3
SMILES
CC1OCC(CO1)(C)CCOC
InChI
InChI=1S/C9H18O3/c1-8-11-6-9(2,7-12-8)4-5-10-3/h8H,4-7H2,1-3H3
InChIKey
YWTLZQSAPNSTOL-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)-2,5-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 137.4
[M+Na]+ 197.11482 143.6
[M-H]- 173.11832 141.9
[M+NH4]+ 192.15942 157.2
[M+K]+ 213.08876 146.2
[M+H-H2O]+ 157.12286 132.7
[M+HCOO]- 219.12380 156.5
[M+CH3COO]- 233.13945 179.3
[M+Na-2H]- 195.10027 145.3
[M]+ 174.12505 139.4
[M]- 174.12615 139.4
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.