CID 154814532

2648895-27-4

Structural Information

Molecular Formula
C9H14O3
SMILES
C1[C@@H]2C[C@H](C[C@H]1[C@@H](C2)O)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8-3-5-1-6(8)4-7(2-5)9(11)12/h5-8,10H,1-4H2,(H,11,12)/t5-,6+,7-,8-/m1/s1
InChIKey
YMMUECCKRGVECX-ULAWRXDQSA-N
Compound name
(1R,3R,5S,6R)-6-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 135.5
[M+Na]+ 193.08352 143.4
[M+NH4]+ 188.12812 143.7
[M+K]+ 209.05746 141.1
[M-H]- 169.08702 134.5
[M+Na-2H]- 191.06897 135.6
[M]+ 170.09375 135.8
[M]- 170.09485 135.8
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.