CID 206949

Brn 2864495

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCN(CC1C(C2CCC1C2)C)C(=O)CCC(=O)C
InChI
InChI=1S/C18H31NO2/c1-4-5-10-19(18(21)9-6-13(2)20)12-17-14(3)15-7-8-16(17)11-15/h14-17H,4-12H2,1-3H3
InChIKey
HZQOSOLGGCBLAT-UHFFFAOYSA-N
Compound name
N-butyl-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 180.2
[M+Na]+ 316.22469 183.1
[M-H]- 292.22819 183.1
[M+NH4]+ 311.26929 201.1
[M+K]+ 332.19863 181.2
[M+H-H2O]+ 276.23273 174.7
[M+HCOO]- 338.23367 198.5
[M+CH3COO]- 352.24932 212.3
[M+Na-2H]- 314.21014 175.8
[M]+ 293.23492 182.4
[M]- 293.23602 182.4
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.