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]+ 173.080836 131.4
[M+Na]+ 195.062778 139.7
[M-H]- 171.066284 137.7
[M+NH4]+ 190.107383 152.7
[M+K]+ 211.036718 142.4
[M+H-H2O]+ 155.070820 128.1
[M+HCOO]- 217.071761 149.2
[M+CH3COO]- 231.087411 177.0
[M+Na-2H]- 193.048226 139.7
[M]+ 172.07301142 132.8
[M]- 172.07410858 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.