CID 727236

5-methylbicyclo[3.3.1]nonane-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
CC12CCCC(C1)(CCC2)C(=O)O
InChI
InChI=1S/C11H18O2/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H,12,13)
InChIKey
YIKIESMRPJSYAY-UHFFFAOYSA-N
Compound name
5-methylbicyclo[3.3.1]nonane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 143.0
[M+Na]+ 205.11990 147.8
[M-H]- 181.12340 143.7
[M+NH4]+ 200.16450 167.3
[M+K]+ 221.09384 145.8
[M+H-H2O]+ 165.12794 138.8
[M+HCOO]- 227.12888 157.3
[M+CH3COO]- 241.14453 178.6
[M+Na-2H]- 203.10535 149.6
[M]+ 182.13013 137.5
[M]- 182.13123 137.5
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

No patent data available for this compound.