CID 11805214

Ethyl 2-(1-hydroxycyclopentyl)acetate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOC(=O)CC1(CCCC1)O
InChI
InChI=1S/C9H16O3/c1-2-12-8(10)7-9(11)5-3-4-6-9/h11H,2-7H2,1H3
InChIKey
FFQXMPGGIREDHJ-UHFFFAOYSA-N
Compound name
ethyl 2-(1-hydroxycyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.5
[M+Na]+ 195.099158 145.2
[M-H]- 171.102664 141.2
[M+NH4]+ 190.143763 162.6
[M+K]+ 211.073098 144.5
[M+H-H2O]+ 155.107200 135.2
[M+HCOO]- 217.108141 160.1
[M+CH3COO]- 231.123791 174.4
[M+Na-2H]- 193.084606 142.9
[M]+ 172.10939142 138.5
[M]- 172.11048858 138.5
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