CID 137887641

1817001-02-7

Structural Information

Molecular Formula
C10H15ClO5
SMILES
CCOC(=O)C1(CC(O1)CCl)C(=O)OCC
InChI
InChI=1S/C10H15ClO5/c1-3-14-8(12)10(9(13)15-4-2)5-7(6-11)16-10/h7H,3-6H2,1-2H3
InChIKey
JSWYGUYAIAXNNR-UHFFFAOYSA-N
Compound name
diethyl 4-(chloromethyl)oxetane-2,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06808 146.0
[M+Na]+ 273.05002 152.1
[M-H]- 249.05352 150.1
[M+NH4]+ 268.09462 158.4
[M+K]+ 289.02396 155.1
[M+H-H2O]+ 233.05806 137.9
[M+HCOO]- 295.05900 161.2
[M+CH3COO]- 309.07465 193.4
[M+Na-2H]- 271.03547 150.1
[M]+ 250.06025 161.9
[M]- 250.06135 161.9
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.