CID 176121

Hexahydro-4,7-epoxy-1h-indene-1,3(2h)-dione, (3a-alpha,4-beta,7-beta,7a-alpha)-

Structural Information

Molecular Formula
C9H10O3
SMILES
C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)CC3=O
InChI
InChI=1S/C9H10O3/c10-4-3-5(11)9-7-2-1-6(12-7)8(4)9/h6-9H,1-3H2/t6-,7+,8-,9+
InChIKey
UITACZFIINUHQR-SPJNRGJMSA-N
Compound name
(1R,2S,6R,7S)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.7
[M+Na]+ 189.05221 143.0
[M-H]- 165.05571 138.7
[M+NH4]+ 184.09681 161.0
[M+K]+ 205.02615 141.9
[M+H-H2O]+ 149.06025 131.9
[M+HCOO]- 211.06119 154.1
[M+CH3COO]- 225.07684 148.5
[M+Na-2H]- 187.03766 136.5
[M]+ 166.06244 134.4
[M]- 166.06354 134.4
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

patents stripe