CID 168028553

3-(2-methoxypropan-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C1CC(=O)C1)OC
InChI
InChI=1S/C8H14O2/c1-8(2,10-3)6-4-7(9)5-6/h6H,4-5H2,1-3H3
InChIKey
BFQWHVDCCWCJKP-UHFFFAOYSA-N
Compound name
3-(2-methoxypropan-2-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 127.1
[M+Na]+ 165.08860 133.4
[M-H]- 141.09210 130.9
[M+NH4]+ 160.13320 142.6
[M+K]+ 181.06254 136.4
[M+H-H2O]+ 125.09664 118.1
[M+HCOO]- 187.09758 147.7
[M+CH3COO]- 201.11323 179.3
[M+Na-2H]- 163.07405 133.1
[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.