CID 268179

Bicyclo[2.2.2]octane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2CCC1CC2C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11)
InChIKey
PNKGHXVHKCJNBW-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

204
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 128.1
[M+Na]+ 177.08860 137.3
[M+NH4]+ 172.13320 138.8
[M+K]+ 193.06254 131.4
[M-H]- 153.09210 125.8
[M+Na-2H]- 175.07405 126.0
[M]+ 154.09883 128.5
[M]- 154.09993 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe