CID 206948

Brn 2855958

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCCN(CC1C(C2CCC1C2)C)C(=O)CCC(=O)C
InChI
InChI=1S/C17H29NO2/c1-4-9-18(17(20)8-5-12(2)19)11-16-13(3)14-6-7-15(16)10-14/h13-16H,4-11H2,1-3H3
InChIKey
CSGXJCKTVAXIES-UHFFFAOYSA-N
Compound name
N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-4-oxo-N-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.21982 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 175.5
[M+Na]+ 302.20904 178.9
[M-H]- 278.21254 178.6
[M+NH4]+ 297.25364 197.0
[M+K]+ 318.18298 177.2
[M+H-H2O]+ 262.21708 170.2
[M+HCOO]- 324.21802 194.2
[M+CH3COO]- 338.23367 209.3
[M+Na-2H]- 300.19449 171.7
[M]+ 279.21927 177.3
[M]- 279.22037 177.3
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

No patent data available for this compound.