CID 64228

25517-18-4

Structural Information

Molecular Formula
C19H33N2O
SMILES
C[N+]1(CCCCC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H32N2O/c1-21(6-3-2-4-7-21)8-5-18(22)20-19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3/p+1
InChIKey
XLCYVTLMEDRGKY-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-3-(1-methylpiperidin-1-ium-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.25928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.26656 174.3
[M+Na]+ 328.24850 183.2
[M+NH4]+ 323.29310 188.8
[M+K]+ 344.22244 171.7
[M-H]- 304.25200 175.6
[M+Na-2H]- 326.23395 173.3
[M]+ 305.25873 176.3
[M]- 305.25983 176.3
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.