CID 64236

25517-23-1

Structural Information

Molecular Formula
C18H31N2O2
SMILES
C[N+]1(CCOCC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H30N2O2/c1-20(4-6-22-7-5-20)3-2-17(21)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3/p+1
InChIKey
AUVFSGXTFUPBDQ-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-3-(4-methylmorpholin-4-ium-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23856 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.24584 166.8
[M+Na]+ 330.22778 164.9
[M-H]- 306.23128 162.7
[M+NH4]+ 325.27238 186.5
[M+K]+ 346.20172 157.1
[M+H-H2O]+ 290.23582 159.2
[M+HCOO]- 352.23676 167.2
[M+CH3COO]- 366.25241 206.3
[M+Na-2H]- 328.21323 177.6
[M]+ 307.23801 162.0
[M]- 307.23911 162.0
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.