CID 64210

25517-07-1

Structural Information

Molecular Formula
C18H31N2O
SMILES
C[N+]1(CCCCC1)CC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H30N2O/c1-20(5-3-2-4-6-20)13-17(21)19-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,2-13H2,1H3/p+1
InChIKey
AMJDLPRKRQAXTJ-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-2-(1-methylpiperidin-1-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.24365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.25093 166.0
[M+Na]+ 314.23287 163.9
[M-H]- 290.23637 161.3
[M+NH4]+ 309.27747 187.5
[M+K]+ 330.20681 154.5
[M+H-H2O]+ 274.24091 158.5
[M+HCOO]- 336.24185 167.0
[M+CH3COO]- 350.25750 204.2
[M+Na-2H]- 312.21832 175.7
[M]+ 291.24310 159.1
[M]- 291.24420 159.1
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.