CID 12809174

(2,5-dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate

Structural Information

Molecular Formula
C9H14O5
SMILES
CC(=O)OCC1(C=CC(O1)OC)OC
InChI
InChI=1S/C9H14O5/c1-7(10)13-6-9(12-3)5-4-8(11-2)14-9/h4-5,8H,6H2,1-3H3
InChIKey
PNBHKLXBFOBICU-UHFFFAOYSA-N
Compound name
(2,5-dimethoxy-2H-furan-5-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

202.08412 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 139.8
[M+Na]+ 225.073338 147.8
[M-H]- 201.076844 144.3
[M+NH4]+ 220.117943 161.5
[M+K]+ 241.047278 149.8
[M+H-H2O]+ 185.081380 135.5
[M+HCOO]- 247.082321 163.0
[M+CH3COO]- 261.097971 181.9
[M+Na-2H]- 223.058786 145.6
[M]+ 202.08357142 146.2
[M]- 202.08466858 146.2
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