CID 89694687

1620575-48-5

Structural Information

Molecular Formula
C7H10O2
SMILES
CC(=O)C1[C@H]2[C@@H]1COC2
InChI
InChI=1S/C7H10O2/c1-4(8)7-5-2-9-3-6(5)7/h5-7H,2-3H2,1H3/t5-,6+,7?
InChIKey
LFHIGPOAAFAFHC-MEKDEQNOSA-N
Compound name
1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

126.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.4
[M+Na]+ 149.05730 134.6
[M-H]- 125.06080 130.7
[M+NH4]+ 144.10190 143.3
[M+K]+ 165.03124 133.8
[M+H-H2O]+ 109.06534 119.6
[M+HCOO]- 171.06628 145.6
[M+CH3COO]- 185.08193 175.0
[M+Na-2H]- 147.04275 130.6
[M]+ 126.06753 127.8
[M]- 126.06863 127.8
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

patents stripe