CID 175754

1-cyclobutyl-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C12H20O3
SMILES
CC(C)C12COC(OC1)(OC2)C3CCC3
InChI
InChI=1S/C12H20O3/c1-9(2)11-6-13-12(14-7-11,15-8-11)10-4-3-5-10/h9-10H,3-8H2,1-2H3
InChIKey
HCTYKFGFWPXGJT-UHFFFAOYSA-N
Compound name
1-cyclobutyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 148.1
[M+Na]+ 235.13047 153.3
[M+NH4]+ 230.17507 157.2
[M+K]+ 251.10441 146.6
[M-H]- 211.13397 148.5
[M+Na-2H]- 233.11592 145.5
[M]+ 212.14070 148.2
[M]- 212.14180 148.2
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.