CID 119032080

875758-13-7

Structural Information

Molecular Formula
C7H12O3
SMILES
C[C@@H]1CC[C@@H](O1)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-5-3-4-6(10-5)7(8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
PQTRMNDPHASIGS-PHDIDXHHSA-N
Compound name
methyl (2R,5R)-5-methyloxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 128.8
[M+Na]+ 167.067858 135.9
[M-H]- 143.071364 132.9
[M+NH4]+ 162.112463 150.8
[M+K]+ 183.041798 137.4
[M+H-H2O]+ 127.075900 124.2
[M+HCOO]- 189.076841 150.7
[M+CH3COO]- 203.092491 172.5
[M+Na-2H]- 165.053306 133.0
[M]+ 144.07809142 129.7
[M]- 144.07918858 129.7
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.