CID 154814532

Rac-(1r,3r,5s,6r)-6-hydroxybicyclo[3.2.1]octane-3-carboxylic acid

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]+ 171.101576 136.4
[M+Na]+ 193.083518 142.3
[M-H]- 169.087024 136.2
[M+NH4]+ 188.128123 158.9
[M+K]+ 209.057458 140.0
[M+H-H2O]+ 153.091560 132.6
[M+HCOO]- 215.092501 152.2
[M+CH3COO]- 229.108151 174.7
[M+Na-2H]- 191.068966 139.0
[M]+ 170.09375142 132.0
[M]- 170.09484858 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.