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]+ 155.10666 128.0
[M+Na]+ 177.08860 131.4
[M-H]- 153.09210 134.9
[M+NH4]+ 172.13320 148.1
[M+K]+ 193.06254 135.0
[M+H-H2O]+ 137.09664 123.4
[M+HCOO]- 199.09758 146.6
[M+CH3COO]- 213.11323 140.8
[M+Na-2H]- 175.07405 135.7
[M]+ 154.09883 121.8
[M]- 154.09993 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