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

14
Patents

160.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 130.9
[M+Na]+ 183.062778 134.9
[M-H]- 159.066284 133.4
[M+NH4]+ 178.107383 142.9
[M+K]+ 199.036718 139.8
[M+H-H2O]+ 143.070820 120.5
[M+HCOO]- 205.071761 149.3
[M+CH3COO]- 219.087411 177.3
[M+Na-2H]- 181.048226 135.2
[M]+ 160.07301142 140.5
[M]- 160.07410858 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