CID 281947

31307-24-1

Structural Information

Molecular Formula
C10H10O3
SMILES
CC12C3CC(C1C(=O)OC2=O)C=C3
InChI
InChI=1S/C10H10O3/c1-10-6-3-2-5(4-6)7(10)8(11)13-9(10)12/h2-3,5-7H,4H2,1H3
InChIKey
LTVUCOSIZFEASK-UHFFFAOYSA-N
Compound name
2-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2233
Patents

178.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 135.8
[M+Na]+ 201.05221 146.7
[M-H]- 177.05571 141.4
[M+NH4]+ 196.09681 164.8
[M+K]+ 217.02615 145.1
[M+H-H2O]+ 161.06025 134.3
[M+HCOO]- 223.06119 157.3
[M+CH3COO]- 237.07684 151.2
[M+Na-2H]- 199.03766 140.3
[M]+ 178.06244 138.6
[M]- 178.06354 138.6
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.