CID 86653

2,5-dihydro-2,5-dimethoxy-2,5-dimethylfuran

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(C=CC(O1)(C)OC)OC
InChI
InChI=1S/C8H14O3/c1-7(9-3)5-6-8(2,10-4)11-7/h5-6H,1-4H3
InChIKey
MYPFDGJQUXKSFK-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-2,5-dimethylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 127.8
[M+Na]+ 181.08352 137.3
[M-H]- 157.08702 132.9
[M+NH4]+ 176.12812 153.6
[M+K]+ 197.05746 138.9
[M+H-H2O]+ 141.09156 124.9
[M+HCOO]- 203.09250 151.8
[M+CH3COO]- 217.10815 175.2
[M+Na-2H]- 179.06897 136.6
[M]+ 158.09375 132.8
[M]- 158.09485 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

literature stripe

Patent stripe

patents stripe