CID 13173315

Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)C1CC2C(C1)O2
InChI
InChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3
InChIKey
VQWDWFRQNVCVBK-UHFFFAOYSA-N
Compound name
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

142.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 128.1
[M+Na]+ 165.05221 138.3
[M-H]- 141.05571 134.3
[M+NH4]+ 160.09681 146.4
[M+K]+ 181.02615 137.8
[M+H-H2O]+ 125.06025 123.2
[M+HCOO]- 187.06119 149.5
[M+CH3COO]- 201.07684 176.3
[M+Na-2H]- 163.03766 134.2
[M]+ 142.06244 132.8
[M]- 142.06354 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe