CID 13208655

2096988-66-6

Structural Information

Molecular Formula
C10H16O3
SMILES
C1[C@@H]2CC(C[C@H]1CC(C2)O)C(=O)O
InChI
InChI=1S/C10H16O3/c11-9-4-6-1-7(5-9)3-8(2-6)10(12)13/h6-9,11H,1-5H2,(H,12,13)/t6-,7+,8?,9?
InChIKey
TZVSMPPJRSCITQ-QPIHLSAKSA-N
Compound name
(1R,5S)-7-hydroxybicyclo[3.3.1]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

184.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 139.4
[M+Na]+ 207.099158 143.9
[M-H]- 183.102664 138.7
[M+NH4]+ 202.143763 159.4
[M+K]+ 223.073098 141.6
[M+H-H2O]+ 167.107200 134.9
[M+HCOO]- 229.108141 152.7
[M+CH3COO]- 243.123791 178.2
[M+Na-2H]- 205.084606 142.9
[M]+ 184.10939142 133.3
[M]- 184.11048858 133.3
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

patents stripe