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]+ 185.11722 139.4
[M+Na]+ 207.09916 143.9
[M-H]- 183.10266 138.7
[M+NH4]+ 202.14376 159.4
[M+K]+ 223.07310 141.6
[M+H-H2O]+ 167.10720 134.9
[M+HCOO]- 229.10814 152.7
[M+CH3COO]- 243.12379 178.2
[M+Na-2H]- 205.08461 142.9
[M]+ 184.10939 133.3
[M]- 184.11049 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