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]+ 139.11174 123.9
[M+Na]+ 161.09368 128.8
[M-H]- 137.09718 130.2
[M+NH4]+ 156.13828 140.8
[M+K]+ 177.06762 130.3
[M+H-H2O]+ 121.10172 114.3
[M+HCOO]- 183.10266 145.1
[M+CH3COO]- 197.11831 176.3
[M+Na-2H]- 159.07913 127.3
[M]+ 138.10391 128.7
[M]- 138.10501 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