CID 238942

6345-56-8

Structural Information

Molecular Formula
C9H10O4
SMILES
CC12CCC(O1)C3C2C(=O)OC3=O
InChI
InChI=1S/C9H10O4/c1-9-3-2-4(13-9)5-6(9)8(11)12-7(5)10/h4-6H,2-3H2,1H3
InChIKey
YRQMPRLOYHEHBF-UHFFFAOYSA-N
Compound name
1-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.2
[M+Na]+ 205.04712 143.4
[M+NH4]+ 200.09172 145.2
[M+K]+ 221.02106 143.5
[M-H]- 181.05062 136.7
[M+Na-2H]- 203.03257 134.6
[M]+ 182.05735 136.6
[M]- 182.05845 136.6
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

patents stripe