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]+ 139.11174 126.0
[M+Na]+ 161.09368 132.5
[M-H]- 137.09718 129.0
[M+NH4]+ 156.13828 146.9
[M+K]+ 177.06762 132.7
[M+H-H2O]+ 121.10172 118.8
[M+HCOO]- 183.10266 144.2
[M+CH3COO]- 197.11831 176.9
[M+Na-2H]- 159.07913 130.0
[M]+ 138.10391 132.6
[M]- 138.10501 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.