CID 11286596

Methyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)C12CCCCC1O2
InChI
InChI=1S/C8H12O3/c1-10-7(9)8-5-3-2-4-6(8)11-8/h6H,2-5H2,1H3
InChIKey
AJMGIOJRUFPGTD-UHFFFAOYSA-N
Compound name
methyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 134.3
[M+Na]+ 179.06786 143.0
[M-H]- 155.07136 140.3
[M+NH4]+ 174.11246 152.0
[M+K]+ 195.04180 143.9
[M+H-H2O]+ 139.07590 129.4
[M+HCOO]- 201.07684 153.3
[M+CH3COO]- 215.09249 177.9
[M+Na-2H]- 177.05331 142.8
[M]+ 156.07809 137.5
[M]- 156.07919 137.5
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.