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]+ 197.080836 137.5
[M+Na]+ 219.062778 146.2
[M-H]- 195.066284 143.6
[M+NH4]+ 214.107383 155.9
[M+K]+ 235.036718 147.0
[M+H-H2O]+ 179.070820 132.3
[M+HCOO]- 241.071761 155.2
[M+CH3COO]- 255.087411 184.9
[M+Na-2H]- 217.048226 143.8
[M]+ 196.07301142 138.1
[M]- 196.07410858 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.