CID 165457462

Ethyl 2-(3,6-dihydro-2h-pyran-4-yl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C(C1=CCOCC1)O
InChI
InChI=1S/C9H14O4/c1-2-13-9(11)8(10)7-3-5-12-6-4-7/h3,8,10H,2,4-6H2,1H3
InChIKey
XEJWZFDWDNSWGT-UHFFFAOYSA-N
Compound name
ethyl 2-(3,6-dihydro-2H-pyran-4-yl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 140.0
[M+Na]+ 209.07842 144.7
[M-H]- 185.08192 142.3
[M+NH4]+ 204.12302 157.4
[M+K]+ 225.05236 145.7
[M+H-H2O]+ 169.08646 134.3
[M+HCOO]- 231.08740 158.4
[M+CH3COO]- 245.10305 177.8
[M+Na-2H]- 207.06387 144.3
[M]+ 186.08865 139.6
[M]- 186.08975 139.6
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

No patent data available for this compound.