CID 362197

Bicyclo[3.3.1]nonane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC2CCCC(C1)(C2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H,11,12)
InChIKey
VGQJCBJXYSHVQD-UHFFFAOYSA-N
Compound name
bicyclo[3.3.1]nonane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.9
[M+Na]+ 191.104258 142.0
[M-H]- 167.107764 138.4
[M+NH4]+ 186.148863 160.8
[M+K]+ 207.078198 140.1
[M+H-H2O]+ 151.112300 133.3
[M+HCOO]- 213.113241 152.6
[M+CH3COO]- 227.128891 175.8
[M+Na-2H]- 189.089706 144.1
[M]+ 168.11449142 131.7
[M]- 168.11558858 131.7
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