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

15
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 116.8
[M+Na]+ 123.04165 126.3
[M-H]- 99.045154 124.8
[M+NH4]+ 118.08625 136.2
[M+K]+ 139.01559 128.9
[M+H-H2O]+ 83.049690 112.4
[M+HCOO]- 145.05063 138.4
[M+CH3COO]- 159.06628 132.1
[M+Na-2H]- 121.02710 127.4
[M]+ 100.05188 119.1
[M]- 100.05298 119.1
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