CID 213960

Brn 1311827

Structural Information

Molecular Formula
C10H14O4
SMILES
CC1CC2C(C(=O)CC(O2)C)C(=O)O1
InChI
InChI=1S/C10H14O4/c1-5-3-7(11)9-8(13-5)4-6(2)14-10(9)12/h5-6,8-9H,3-4H2,1-2H3
InChIKey
ZFIKNWYIHLHKSZ-UHFFFAOYSA-N
Compound name
2,7-dimethyl-2,3,4a,7,8,8a-hexahydropyrano[4,3-b]pyran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 139.2
[M+Na]+ 221.07842 146.9
[M-H]- 197.08192 144.9
[M+NH4]+ 216.12302 157.4
[M+K]+ 237.05236 147.8
[M+H-H2O]+ 181.08646 134.1
[M+HCOO]- 243.08740 155.4
[M+CH3COO]- 257.10305 185.3
[M+Na-2H]- 219.06387 144.6
[M]+ 198.08865 138.4
[M]- 198.08975 138.4
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.