CID 155819788

1-(oxiran-2-yl)-2-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CC1CO2)C3CO3
InChI
InChI=1S/C8H12O2/c1-2-8(7-5-9-7)3-6(1)4-10-8/h6-7H,1-5H2
InChIKey
XPNQEWALUMURHF-UHFFFAOYSA-N
Compound name
1-(oxiran-2-yl)-2-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 125.8
[M+Na]+ 163.072938 135.2
[M-H]- 139.076444 133.8
[M+NH4]+ 158.117543 146.5
[M+K]+ 179.046878 136.1
[M+H-H2O]+ 123.080980 122.2
[M+HCOO]- 185.081921 145.0
[M+CH3COO]- 199.097571 140.4
[M+Na-2H]- 161.058386 133.9
[M]+ 140.08317142 128.9
[M]- 140.08426858 128.9
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.