CID 170987

51155-03-4

Structural Information

Molecular Formula
C8H10O3
SMILES
C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)COC3=O
InChI
InChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-7H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKey
ZMBDOIYQGZHKEU-MVIOUDGNSA-N
Compound name
(1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.4
[M+Na]+ 177.05221 138.0
[M-H]- 153.05571 134.6
[M+NH4]+ 172.09681 155.6
[M+K]+ 193.02615 138.7
[M+H-H2O]+ 137.06025 127.8
[M+HCOO]- 199.06119 148.9
[M+CH3COO]- 213.07684 144.2
[M+Na-2H]- 175.03766 133.9
[M]+ 154.06244 130.6
[M]- 154.06354 130.6
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