CID 66367847

2,2-dimethyl-3-(propan-2-yloxy)cyclobutan-1-one

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)OC1CC(=O)C1(C)C
InChI
InChI=1S/C9H16O2/c1-6(2)11-8-5-7(10)9(8,3)4/h6,8H,5H2,1-4H3
InChIKey
WINWDRSVZGUFHT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-propan-2-yloxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 132.7
[M+Na]+ 179.10426 139.7
[M-H]- 155.10776 137.0
[M+NH4]+ 174.14886 149.8
[M+K]+ 195.07820 142.5
[M+H-H2O]+ 139.11230 124.6
[M+HCOO]- 201.11324 153.5
[M+CH3COO]- 215.12889 183.4
[M+Na-2H]- 177.08971 136.7
[M]+ 156.11449 143.4
[M]- 156.11559 143.4
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.