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]+ 201.11214 142.3
[M+Na]+ 223.09408 147.2
[M-H]- 199.09758 140.6
[M+NH4]+ 218.13868 161.2
[M+K]+ 239.06802 144.8
[M+H-H2O]+ 183.10212 138.2
[M+HCOO]- 245.10306 154.3
[M+CH3COO]- 259.11871 179.4
[M+Na-2H]- 221.07953 144.9
[M]+ 200.10431 136.3
[M]- 200.10541 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.