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 170.4
[M+Na]+ 328.24850 167.9
[M-H]- 304.25200 165.4
[M+NH4]+ 323.29310 191.3
[M+K]+ 344.22244 158.3
[M+H-H2O]+ 288.25654 162.7
[M+HCOO]- 350.25748 171.1
[M+CH3COO]- 364.27313 207.0
[M+Na-2H]- 326.23395 179.6
[M]+ 305.25873 163.8
[M]- 305.25983 163.8
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.