CID 198398

2,6,7-trioxabicyclo(2.2.2)octane, 4-ethyl-1-isopropyl-

Structural Information

Molecular Formula
C10H18O3
SMILES
CCC12COC(OC1)(OC2)C(C)C
InChI
InChI=1S/C10H18O3/c1-4-9-5-11-10(8(2)3,12-6-9)13-7-9/h8H,4-7H2,1-3H3
InChIKey
YTUZXQQLBRKABH-UHFFFAOYSA-N
Compound name
4-ethyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 140.0
[M+Na]+ 209.11482 145.0
[M-H]- 185.11832 138.8
[M+NH4]+ 204.15942 163.9
[M+K]+ 225.08876 147.7
[M+H-H2O]+ 169.12286 135.2
[M+HCOO]- 231.12380 148.4
[M+CH3COO]- 245.13945 151.4
[M+Na-2H]- 207.10027 154.3
[M]+ 186.12505 145.1
[M]- 186.12615 145.1
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

patents stripe