CID 130853082

Rac-(2r,6s)-tricyclo[5.2.1.0,2,6]decan-3-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1CC(=O)[C@@H]2[C@H]1C3CCC2C3
InChI
InChI=1S/C10H14O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-8,10H,1-5H2/t6?,7?,8-,10+/m1/s1
InChIKey
ZTSNSBFZDXDTFS-VUMZSGCYSA-N
Compound name
(2S,6R)-tricyclo[5.2.1.02,6]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 136.2
[M+Na]+ 173.093678 144.0
[M-H]- 149.097184 140.1
[M+NH4]+ 168.138283 165.2
[M+K]+ 189.067618 141.4
[M+H-H2O]+ 133.101720 133.1
[M+HCOO]- 195.102661 156.6
[M+CH3COO]- 209.118311 150.1
[M+Na-2H]- 171.079126 137.6
[M]+ 150.10391142 134.0
[M]- 150.10500858 134.0
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