CID 125511851

1-(1-cyclopropanecarbonylcyclopropyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)C(=O)C1(CC1)C(=O)C2CC2
InChI
InChI=1S/C11H16O2/c1-7(2)9(12)11(5-6-11)10(13)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKey
UBGQFSKCEXSFSW-UHFFFAOYSA-N
Compound name
1-[1-(cyclopropanecarbonyl)cyclopropyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 148.3
[M+Na]+ 203.10426 154.6
[M-H]- 179.10776 155.4
[M+NH4]+ 198.14886 158.3
[M+K]+ 219.07820 154.7
[M+H-H2O]+ 163.11230 143.8
[M+HCOO]- 225.11324 165.7
[M+CH3COO]- 239.12889 195.7
[M+Na-2H]- 201.08971 149.6
[M]+ 180.11449 152.6
[M]- 180.11559 152.6
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.