CID 29627

19476-83-6

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCC1COC(OC1)C(C)C
InChI
InChI=1S/C10H20O2/c1-4-5-9-6-11-10(8(2)3)12-7-9/h8-10H,4-7H2,1-3H3
InChIKey
WESQGUFEFTXRLG-UHFFFAOYSA-N
Compound name
2-propan-2-yl-5-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.4
[M+Na]+ 195.13555 146.1
[M-H]- 171.13905 145.5
[M+NH4]+ 190.18015 159.3
[M+K]+ 211.10949 148.0
[M+H-H2O]+ 155.14359 135.9
[M+HCOO]- 217.14453 158.9
[M+CH3COO]- 231.16018 181.6
[M+Na-2H]- 193.12100 146.2
[M]+ 172.14578 141.3
[M]- 172.14688 141.3
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.