CID 86706142

Ethyl 2-hydroxy-2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula
C7H12O4
SMILES
CCOC(=O)C(C1COC1)O
InChI
InChI=1S/C7H12O4/c1-2-11-7(9)6(8)5-3-10-4-5/h5-6,8H,2-4H2,1H3
InChIKey
NAVZQYZBMWHLNV-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(oxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

160.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 130.9
[M+Na]+ 183.06278 134.9
[M-H]- 159.06628 133.4
[M+NH4]+ 178.10738 142.9
[M+K]+ 199.03672 139.8
[M+H-H2O]+ 143.07082 120.5
[M+HCOO]- 205.07176 149.3
[M+CH3COO]- 219.08741 177.3
[M+Na-2H]- 181.04823 135.2
[M]+ 160.07301 140.5
[M]- 160.07411 140.5
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