CID 3065451

108097-76-3

Structural Information

Molecular Formula
C10H10O5
SMILES
CC1(C=C(C2=C(O1)C(=O)OC2)C(=O)O)C
InChI
InChI=1S/C10H10O5/c1-10(2)3-5(8(11)12)6-4-14-9(13)7(6)15-10/h3H,4H2,1-2H3,(H,11,12)
InChIKey
CXKSYUVBLKDHAF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-7-oxo-5H-furo[3,4-b]pyran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05283 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 139.0
[M+Na]+ 233.04205 148.8
[M-H]- 209.04555 144.3
[M+NH4]+ 228.08665 159.7
[M+K]+ 249.01599 149.4
[M+H-H2O]+ 193.05009 135.6
[M+HCOO]- 255.05103 158.0
[M+CH3COO]- 269.06668 182.9
[M+Na-2H]- 231.02750 145.4
[M]+ 210.05228 142.2
[M]- 210.05338 142.2
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.