CID 85996250

2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-7-one

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(OC2C(O1)OCCC2=O)C
InChI
InChI=1S/C8H12O4/c1-8(2)11-6-5(9)3-4-10-7(6)12-8/h6-7H,3-4H2,1-2H3
InChIKey
FBSCPQAFIVOVJT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3a,5,6,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 131.4
[M+Na]+ 195.06278 139.7
[M-H]- 171.06628 137.7
[M+NH4]+ 190.10738 152.7
[M+K]+ 211.03672 142.4
[M+H-H2O]+ 155.07082 128.1
[M+HCOO]- 217.07176 149.2
[M+CH3COO]- 231.08741 177.0
[M+Na-2H]- 193.04823 139.7
[M]+ 172.07301 132.8
[M]- 172.07411 132.8
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

No patent data available for this compound.