CID 29436

19131-74-9

Structural Information

Molecular Formula
C11H22O3
SMILES
CC1OCC(CO1)(C)C(C)OC(C)C
InChI
InChI=1S/C11H22O3/c1-8(2)14-9(3)11(5)6-12-10(4)13-7-11/h8-10H,6-7H2,1-5H3
InChIKey
PNLAHFVUUHRTLK-UHFFFAOYSA-N
Compound name
2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 147.3
[M+Na]+ 225.14611 152.2
[M-H]- 201.14961 151.6
[M+NH4]+ 220.19071 165.9
[M+K]+ 241.12005 155.2
[M+H-H2O]+ 185.15415 142.5
[M+HCOO]- 247.15509 163.7
[M+CH3COO]- 261.17074 187.1
[M+Na-2H]- 223.13156 151.7
[M]+ 202.15634 148.7
[M]- 202.15744 148.7
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

No patent data available for this compound.