CID 154733842

Rac-(1r,2s,5r,6s)-tricyclo[4.2.1.0,2,5]nonan-3-ol

Structural Information

Molecular Formula
C9H14O
SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(C3)O
InChI
InChI=1S/C9H14O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h5-10H,1-4H2/t5-,6+,7+,8?,9-/m1/s1
InChIKey
IBKOIAQAXJAAOJ-SVBMCEDBSA-N
Compound name
(1S,2R,5S,6R)-tricyclo[4.2.1.02,5]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 126.0
[M+Na]+ 161.093678 132.5
[M-H]- 137.097184 129.0
[M+NH4]+ 156.138283 146.9
[M+K]+ 177.067618 132.7
[M+H-H2O]+ 121.101720 118.8
[M+HCOO]- 183.102661 144.2
[M+CH3COO]- 197.118311 176.9
[M+Na-2H]- 159.079126 130.0
[M]+ 138.10391142 132.6
[M]- 138.10500858 132.6
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.