CID 53407781

1187933-07-8

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)C1CCC(C1)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6-7,9H,2-5H2,1H3
InChIKey
PEOQPQHZHDFVIL-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.7
[M+Na]+ 181.08352 140.8
[M-H]- 157.08702 136.6
[M+NH4]+ 176.12812 156.6
[M+K]+ 197.05746 140.2
[M+H-H2O]+ 141.09156 129.9
[M+HCOO]- 203.09250 155.6
[M+CH3COO]- 217.10815 173.0
[M+Na-2H]- 179.06897 136.7
[M]+ 158.09375 133.4
[M]- 158.09485 133.4
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