CID 44228655

41248-23-1

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)C1(CCCC1)O
InChI
InChI=1S/C8H14O3/c1-2-11-7(9)8(10)5-3-4-6-8/h10H,2-6H2,1H3
InChIKey
GINOXNRTFZITQJ-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

158.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.9
[M+Na]+ 181.08352 141.0
[M-H]- 157.08702 136.8
[M+NH4]+ 176.12812 158.6
[M+K]+ 197.05746 140.6
[M+H-H2O]+ 141.09156 130.8
[M+HCOO]- 203.09250 155.9
[M+CH3COO]- 217.10815 171.4
[M+Na-2H]- 179.06897 138.9
[M]+ 158.09375 133.5
[M]- 158.09485 133.5
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