CID 125424313

Methyl 2,2-dimethyl-2,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1(C(=CCO1)C(=O)OC)C
InChI
InChI=1S/C8H12O3/c1-8(2)6(4-5-11-8)7(9)10-3/h4H,5H2,1-3H3
InChIKey
CPSPBOVDLCRBKP-UHFFFAOYSA-N
Compound name
methyl 5,5-dimethyl-2H-furan-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 129.6
[M+Na]+ 179.06786 138.3
[M-H]- 155.07136 134.4
[M+NH4]+ 174.11246 153.4
[M+K]+ 195.04180 139.5
[M+H-H2O]+ 139.07590 125.9
[M+HCOO]- 201.07684 152.8
[M+CH3COO]- 215.09249 174.7
[M+Na-2H]- 177.05331 135.7
[M]+ 156.07809 132.7
[M]- 156.07919 132.7
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.