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]+ 143.10666 125.6
[M+Na]+ 165.08860 134.1
[M-H]- 141.09210 130.3
[M+NH4]+ 160.13320 143.6
[M+K]+ 181.06254 136.8
[M+H-H2O]+ 125.09664 118.0
[M+HCOO]- 187.09758 147.7
[M+CH3COO]- 201.11323 180.8
[M+Na-2H]- 163.07405 130.9
[M]+ 142.09883 137.0
[M]- 142.09993 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.