CID 279481

1,4-dioxaspiro[4.6]undec-6-ene

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCC2(C=CC1)OCCO2
InChI
InChI=1S/C9H14O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h3,5H,1-2,4,6-8H2
InChIKey
CQAUTOXIUPPFQV-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.6]undec-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

154.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 128.0
[M+Na]+ 177.088598 131.4
[M-H]- 153.092104 134.9
[M+NH4]+ 172.133203 148.1
[M+K]+ 193.062538 135.0
[M+H-H2O]+ 137.096640 123.4
[M+HCOO]- 199.097581 146.6
[M+CH3COO]- 213.113231 140.8
[M+Na-2H]- 175.074046 135.7
[M]+ 154.09883142 121.8
[M]- 154.09992858 121.8
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