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

2
Patents

182.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.0
[M+Na]+ 205.119898 147.8
[M-H]- 181.123404 143.7
[M+NH4]+ 200.164503 167.3
[M+K]+ 221.093838 145.8
[M+H-H2O]+ 165.127940 138.8
[M+HCOO]- 227.128881 157.3
[M+CH3COO]- 241.144531 178.6
[M+Na-2H]- 203.105346 149.6
[M]+ 182.13013142 137.5
[M]- 182.13122858 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

patents stripe