CID 122163393

Methyl 3-methoxyoxolane-3-carboxylate

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(=O)C1(CCOC1)OC
InChI
InChI=1S/C7H12O4/c1-9-6(8)7(10-2)3-4-11-5-7/h3-5H2,1-2H3
InChIKey
SXZUQISHAIFDRZ-UHFFFAOYSA-N
Compound name
methyl 3-methoxyoxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 131.0
[M+Na]+ 183.06278 138.0
[M-H]- 159.06628 135.1
[M+NH4]+ 178.10738 154.0
[M+K]+ 199.03672 140.2
[M+H-H2O]+ 143.07082 127.0
[M+HCOO]- 205.07176 153.2
[M+CH3COO]- 219.08741 173.0
[M+Na-2H]- 181.04823 137.3
[M]+ 160.07301 133.3
[M]- 160.07411 133.3
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.