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

35
Patents

154.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.6
[M+Na]+ 177.08860 139.0
[M-H]- 153.09210 134.5
[M+NH4]+ 172.13320 157.2
[M+K]+ 193.06254 137.1
[M+H-H2O]+ 137.09664 129.4
[M+HCOO]- 199.09758 150.8
[M+CH3COO]- 213.11323 173.9
[M+Na-2H]- 175.07405 137.2
[M]+ 154.09883 129.2
[M]- 154.09993 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