CID 637977

Epoxycyclopentane

Structural Information

Molecular Formula
C5H8O
SMILES
C1C[C@@H]2[C@H](C1)O2
InChI
InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+
InChIKey
GJEZBVHHZQAEDB-SYDPRGILSA-N
Compound name
(1R,5S)-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

14467
Patents

84.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 113.2
[M+Na]+ 107.046738 123.4
[M-H]- 83.050244 119.4
[M+NH4]+ 102.091343 133.7
[M+K]+ 123.020678 123.3
[M+H-H2O]+ 67.054780 108.4
[M+HCOO]- 129.055721 135.8
[M+CH3COO]- 143.071371 166.3
[M+Na-2H]- 105.032186 122.3
[M]+ 84.05697142 115.4
[M]- 84.05806858 115.4
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