CID 213959

Brn 1311446

Structural Information

Molecular Formula
C10H12O4
SMILES
CC1CC2=C(C(=O)CC(O2)C)C(=O)O1
InChI
InChI=1S/C10H12O4/c1-5-3-7(11)9-8(13-5)4-6(2)14-10(9)12/h5-6H,3-4H2,1-2H3
InChIKey
AXIUGULHBQFQIU-UHFFFAOYSA-N
Compound name
2,7-dimethyl-2,3,7,8-tetrahydropyrano[4,3-b]pyran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 137.5
[M+Na]+ 219.06278 146.2
[M-H]- 195.06628 143.6
[M+NH4]+ 214.10738 155.9
[M+K]+ 235.03672 147.0
[M+H-H2O]+ 179.07082 132.3
[M+HCOO]- 241.07176 155.2
[M+CH3COO]- 255.08741 184.9
[M+Na-2H]- 217.04823 143.8
[M]+ 196.07301 138.1
[M]- 196.07411 138.1
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.