CID 565984

1,7-dioxaspiro[5.5]undec-4-ene

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCOC2(C1)C=CCCO2
InChI
InChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1,5H,2-4,6-8H2
InChIKey
SNYOYCMJYVTWEA-UHFFFAOYSA-N
Compound name
1,7-dioxaspiro[5.5]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.5
[M+Na]+ 177.08860 145.5
[M+NH4]+ 172.13320 144.9
[M+K]+ 193.06254 137.5
[M-H]- 153.09210 139.9
[M+Na-2H]- 175.07405 141.1
[M]+ 154.09883 137.2
[M]- 154.09993 137.2
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