CID 138008242

2243503-72-0

Structural Information

Molecular Formula
C10H16O4
SMILES
C1[C@@H]2C[C@@H](C[C@H]1[C@@H]([C@@H](C2)O)O)C(=O)O
InChI
InChI=1S/C10H16O4/c11-8-3-5-1-6(9(8)12)4-7(2-5)10(13)14/h5-9,11-12H,1-4H2,(H,13,14)/t5-,6+,7+,8-,9+/m1/s1
InChIKey
FYJGSVOVZWEXDH-NXRLNHOXSA-N
Compound name
(1R,3S,5S,6S,7R)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 142.3
[M+Na]+ 223.094078 147.2
[M-H]- 199.097584 140.6
[M+NH4]+ 218.138683 161.2
[M+K]+ 239.068018 144.8
[M+H-H2O]+ 183.102120 138.2
[M+HCOO]- 245.103061 154.3
[M+CH3COO]- 259.118711 179.4
[M+Na-2H]- 221.079526 144.9
[M]+ 200.10431142 136.3
[M]- 200.10540858 136.3
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.