CID 29627

Dtxsid80941225

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]+ 173.153606 141.4
[M+Na]+ 195.135548 146.1
[M-H]- 171.139054 145.5
[M+NH4]+ 190.180153 159.3
[M+K]+ 211.109488 148.0
[M+H-H2O]+ 155.143590 135.9
[M+HCOO]- 217.144531 158.9
[M+CH3COO]- 231.160181 181.6
[M+Na-2H]- 193.120996 146.2
[M]+ 172.14578142 141.3
[M]- 172.14687858 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.