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

67
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.5
[M+Na]+ 195.09916 145.2
[M-H]- 171.10266 141.2
[M+NH4]+ 190.14376 162.6
[M+K]+ 211.07310 144.5
[M+H-H2O]+ 155.10720 135.2
[M+HCOO]- 217.10814 160.1
[M+CH3COO]- 231.12379 174.4
[M+Na-2H]- 193.08461 142.9
[M]+ 172.10939 138.5
[M]- 172.11049 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