CID 5356565

1,2-epoxy-5-cyclooctene

Structural Information

Molecular Formula
C8H12O
SMILES
C/1CC2C(O2)CC/C=C1
InChI
InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-
InChIKey
YWFPXWMSGJXUFS-UPHRSURJSA-N
Compound name
(4Z)-9-oxabicyclo[6.1.0]non-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

124.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 127.6
[M+Na]+ 147.078028 133.3
[M-H]- 123.081534 130.6
[M+NH4]+ 142.122633 135.6
[M+K]+ 163.051968 134.4
[M+H-H2O]+ 107.086070 124.5
[M+HCOO]- 169.087011 137.4
[M+CH3COO]- 183.102661 134.1
[M+Na-2H]- 145.063476 131.4
[M]+ 124.08826142 128.4
[M]- 124.08935858 128.4
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