CID 145913182

5-oxaspiro[3.4]oct-7-ene

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC2(C1)C=CCO2
InChI
InChI=1S/C7H10O/c1-3-7(4-1)5-2-6-8-7/h2,5H,1,3-4,6H2
InChIKey
DLNYTPUMLGKPRI-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]oct-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 112.9
[M+Na]+ 133.062384 119.3
[M-H]- 109.065890 119.5
[M+NH4]+ 128.106989 131.9
[M+K]+ 149.036324 122.5
[M+H-H2O]+ 93.070426 104.8
[M+HCOO]- 155.071367 135.3
[M+CH3COO]- 169.087017 168.7
[M+Na-2H]- 131.047832 122.4
[M]+ 110.07261742 120.0
[M]- 110.07371458 120.0
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