CID 90772

2,5-dihydro-2,5-dimethoxy-2-methylfuran

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(C=CC(O1)OC)OC
InChI
InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3
InChIKey
ODARVONGEVVSAG-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-5-methyl-2H-furan
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 125.5
[M+Na]+ 167.06786 134.5
[M-H]- 143.07136 130.3
[M+NH4]+ 162.11246 149.8
[M+K]+ 183.04180 136.2
[M+H-H2O]+ 127.07590 121.8
[M+HCOO]- 189.07684 149.9
[M+CH3COO]- 203.09249 172.4
[M+Na-2H]- 165.05331 133.4
[M]+ 144.07809 129.7
[M]- 144.07919 129.7
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