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

44
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.9
[M+Na]+ 191.10426 142.0
[M-H]- 167.10776 138.4
[M+NH4]+ 186.14886 160.8
[M+K]+ 207.07820 140.1
[M+H-H2O]+ 151.11230 133.3
[M+HCOO]- 213.11324 152.6
[M+CH3COO]- 227.12889 175.8
[M+Na-2H]- 189.08971 144.1
[M]+ 168.11449 131.7
[M]- 168.11559 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