CID 58227857

3-cyclopentylcyclobutan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC(C1)C2CC(=O)C2
InChI
InChI=1S/C9H14O/c10-9-5-8(6-9)7-3-1-2-4-7/h7-8H,1-6H2
InChIKey
STYWWMIFJQPWDI-UHFFFAOYSA-N
Compound name
3-cyclopentylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 123.9
[M+Na]+ 161.093678 128.8
[M-H]- 137.097184 130.2
[M+NH4]+ 156.138283 140.8
[M+K]+ 177.067618 130.3
[M+H-H2O]+ 121.101720 114.3
[M+HCOO]- 183.102661 145.1
[M+CH3COO]- 197.118311 176.3
[M+Na-2H]- 159.079126 127.3
[M]+ 138.10391142 128.7
[M]- 138.10500858 128.7
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

patents stripe