CID 8452

Cyclopentanone

Structural Information

Molecular Formula
C5H8O
SMILES
C1CCC(=O)C1
InChI
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
InChIKey
BGTOWKSIORTVQH-UHFFFAOYSA-N
Compound name
cyclopentanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

857
References

142251
Patents

84.05752 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.1
[M+Na]+ 107.046738 121.3
[M-H]- 83.050244 117.5
[M+NH4]+ 102.091343 139.5
[M+K]+ 123.020678 121.2
[M+H-H2O]+ 67.054780 109.6
[M+HCOO]- 129.055721 138.2
[M+CH3COO]- 143.071371 161.3
[M+Na-2H]- 105.032186 120.2
[M]+ 84.05697142 111.1
[M]- 84.05806858 111.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe