CID 63333521

1,5-dioxaspiro[2.4]heptane

Structural Information

Molecular Formula
C5H8O2
SMILES
C1COCC12CO2
InChI
InChI=1S/C5H8O2/c1-2-6-3-5(1)4-7-5/h1-4H2
InChIKey
SNVWCQVCIGRDCF-UHFFFAOYSA-N
Compound name
1,6-dioxaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 121.5
[M+Na]+ 123.04165 133.8
[M+NH4]+ 118.08625 133.0
[M+K]+ 139.01559 130.3
[M-H]- 99.045154 133.1
[M+Na-2H]- 121.02710 130.3
[M]+ 100.05188 127.8
[M]- 100.05298 127.8
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