CID 18463

3-oxatricyclo[3.2.1.02,4]octane

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC2CC1C3C2O3
InChI
InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2
InChIKey
OHNNZOOGWXZCPZ-UHFFFAOYSA-N
Compound name
3-oxatricyclo[3.2.1.02,4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1838
Patents

110.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 120.3
[M+Na]+ 133.062384 131.2
[M-H]- 109.065890 125.8
[M+NH4]+ 128.106989 142.9
[M+K]+ 149.036324 129.4
[M+H-H2O]+ 93.070426 116.5
[M+HCOO]- 155.071367 140.5
[M+CH3COO]- 169.087017 135.3
[M+Na-2H]- 131.047832 127.7
[M]+ 110.07261742 123.4
[M]- 110.07371458 123.4
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.