CID 71757698

3-methoxy-2,2,4-trimethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1C(C(C1=O)(C)C)OC
InChI
InChI=1S/C8H14O2/c1-5-6(9)8(2,3)7(5)10-4/h5,7H,1-4H3
InChIKey
TYKLBHRYEGJSEZ-UHFFFAOYSA-N
Compound name
3-methoxy-2,2,4-trimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 125.6
[M+Na]+ 165.088598 134.1
[M-H]- 141.092104 130.3
[M+NH4]+ 160.133203 143.6
[M+K]+ 181.062538 136.8
[M+H-H2O]+ 125.096640 118.0
[M+HCOO]- 187.097581 147.7
[M+CH3COO]- 201.113231 180.8
[M+Na-2H]- 163.074046 130.9
[M]+ 142.09883142 137.0
[M]- 142.09992858 137.0
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.