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

16
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 116.8
[M+Na]+ 123.041648 126.3
[M-H]- 99.045154 124.8
[M+NH4]+ 118.086253 136.2
[M+K]+ 139.015588 128.9
[M+H-H2O]+ 83.049690 112.4
[M+HCOO]- 145.050631 138.4
[M+CH3COO]- 159.066281 132.1
[M+Na-2H]- 121.027096 127.4
[M]+ 100.05188142 119.1
[M]- 100.05297858 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