CID 13780724

3-cyclopropyl-3-methylcyclobutan-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CC1(CC(=O)C1)C2CC2
InChI
InChI=1S/C8H12O/c1-8(6-2-3-6)4-7(9)5-8/h6H,2-5H2,1H3
InChIKey
LOKTXMUWKLQCTD-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 122.8
[M+Na]+ 147.078028 131.5
[M-H]- 123.081534 131.0
[M+NH4]+ 142.122633 136.3
[M+K]+ 163.051968 133.3
[M+H-H2O]+ 107.086070 114.2
[M+HCOO]- 169.087011 144.9
[M+CH3COO]- 183.102661 178.7
[M+Na-2H]- 145.063476 129.8
[M]+ 124.08826142 132.9
[M]- 124.08935858 132.9
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.