CID 4231775

39973-36-9

Structural Information

Molecular Formula
C10H12O3
SMILES
CC12C3CCC(C3)C1C(=O)OC2=O
InChI
InChI=1S/C10H12O3/c1-10-6-3-2-5(4-6)7(10)8(11)13-9(10)12/h5-7H,2-4H2,1H3
InChIKey
KURYGOWCQOQZRG-UHFFFAOYSA-N
Compound name
2-methyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 137.7
[M+Na]+ 203.067858 147.6
[M-H]- 179.071364 142.8
[M+NH4]+ 198.112463 166.5
[M+K]+ 219.041798 146.0
[M+H-H2O]+ 163.075900 136.2
[M+HCOO]- 225.076841 157.7
[M+CH3COO]- 239.092491 152.5
[M+Na-2H]- 201.053306 141.2
[M]+ 180.07809142 139.0
[M]- 180.07918858 139.0
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

patents stripe