CID 13370221

Bicyclo[3.2.1]octane-3-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2CC1CC(C2)C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11)
InChIKey
KTEWGIIYPCRLJJ-UHFFFAOYSA-N
Compound name
bicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

154.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 133.6
[M+Na]+ 177.088598 139.0
[M-H]- 153.092104 134.5
[M+NH4]+ 172.133203 157.2
[M+K]+ 193.062538 137.1
[M+H-H2O]+ 137.096640 129.4
[M+HCOO]- 199.097581 150.8
[M+CH3COO]- 213.113231 173.9
[M+Na-2H]- 175.074046 137.2
[M]+ 154.09883142 129.2
[M]- 154.09992858 129.2
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