CID 67433

1,6-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2(CCCO2)OC1
InChI
InChI=1S/C7H12O2/c1-3-7(8-5-1)4-2-6-9-7/h1-6H2
InChIKey
YVSCOIUNVKGTND-UHFFFAOYSA-N
Compound name
1,6-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

158
Patents

128.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.1
[M+Na]+ 151.07294 131.1
[M-H]- 127.07644 131.4
[M+NH4]+ 146.11754 149.7
[M+K]+ 167.04688 133.0
[M+H-H2O]+ 111.08098 121.3
[M+HCOO]- 173.08192 145.9
[M+CH3COO]- 187.09757 139.5
[M+Na-2H]- 149.05839 132.1
[M]+ 128.08317 122.2
[M]- 128.08427 122.2
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