CID 33698824

(1r,3s,5s)-8-hydroxybicyclo[3.2.1]octane-3-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1C[C@H]2CC(C[C@@H]1C2O)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8-5-1-2-6(8)4-7(3-5)9(11)12/h5-8,10H,1-4H2,(H,11,12)/t5-,6+,7?,8?
InChIKey
LXMGOUHEZQBMEC-XEDAXZNXSA-N
Compound name
(1R,5S)-8-hydroxybicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.4
[M+Na]+ 193.08352 142.3
[M-H]- 169.08702 136.2
[M+NH4]+ 188.12812 158.9
[M+K]+ 209.05746 140.0
[M+H-H2O]+ 153.09156 132.6
[M+HCOO]- 215.09250 152.2
[M+CH3COO]- 229.10815 174.7
[M+Na-2H]- 191.06897 139.0
[M]+ 170.09375 132.0
[M]- 170.09485 132.0
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

No patent data available for this compound.