CID 165470356

3-cyanobicyclo[3.2.1]octane-3-carboxylicacid

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CC2CC1CC(C2)(C#N)C(=O)O
InChI
InChI=1S/C10H13NO2/c11-6-10(9(12)13)4-7-1-2-8(3-7)5-10/h7-8H,1-5H2,(H,12,13)
InChIKey
FZXKYHIVGAKHOR-UHFFFAOYSA-N
Compound name
3-cyanobicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 141.6
[M+Na]+ 202.08386 149.8
[M+NH4]+ 197.12846 147.9
[M+K]+ 218.05780 141.5
[M-H]- 178.08736 134.1
[M+Na-2H]- 200.06931 141.8
[M]+ 179.09409 139.6
[M]- 179.09519 139.6
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.