CID 15730339

1,3-dimethyl 2-[(tetrahydro-2-furanyl)methyl]propanedioate

Structural Information

Molecular Formula
C10H16O5
SMILES
COC(=O)C(CC1CCCO1)C(=O)OC
InChI
InChI=1S/C10H16O5/c1-13-9(11)8(10(12)14-2)6-7-4-3-5-15-7/h7-8H,3-6H2,1-2H3
InChIKey
MBBDIQIYKVHJEO-UHFFFAOYSA-N
Compound name
dimethyl 2-(oxolan-2-ylmethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09978 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 148.6
[M+Na]+ 239.08900 153.2
[M-H]- 215.09250 152.0
[M+NH4]+ 234.13360 167.1
[M+K]+ 255.06294 155.3
[M+H-H2O]+ 199.09704 143.1
[M+HCOO]- 261.09798 168.2
[M+CH3COO]- 275.11363 184.9
[M+Na-2H]- 237.07445 149.6
[M]+ 216.09923 151.1
[M]- 216.10033 151.1
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