CID 270624

2-hydroxycyclopentan-1-one

Structural Information

Molecular Formula
C5H8O2
SMILES
C1CC(C(=O)C1)O
InChI
InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h4,6H,1-3H2
InChIKey
LUTDLYPHDVQSHT-UHFFFAOYSA-N
Compound name
2-hydroxycyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

431
Patents

100.05243 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 118.1
[M+Na]+ 123.04165 128.0
[M+NH4]+ 118.08625 126.8
[M+K]+ 139.01559 124.9
[M-H]- 99.045154 118.6
[M+Na-2H]- 121.02710 122.3
[M]+ 100.05188 119.3
[M]- 100.05298 119.3
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