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

366
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 132.1
[M+Na]+ 177.088598 135.8
[M-H]- 153.092104 127.6
[M+NH4]+ 172.133203 156.8
[M+K]+ 193.062538 134.0
[M+H-H2O]+ 137.096640 128.6
[M+HCOO]- 199.097581 142.3
[M+CH3COO]- 213.113231 142.7
[M+Na-2H]- 175.074046 142.0
[M]+ 154.09883142 131.1
[M]- 154.09992858 131.1
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