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]+ 145.08592 128.8
[M+Na]+ 167.06786 135.9
[M-H]- 143.07136 132.9
[M+NH4]+ 162.11246 150.8
[M+K]+ 183.04180 137.4
[M+H-H2O]+ 127.07590 124.2
[M+HCOO]- 189.07684 150.7
[M+CH3COO]- 203.09249 172.5
[M+Na-2H]- 165.05331 133.0
[M]+ 144.07809 129.7
[M]- 144.07919 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.