CID 64230

25517-20-8

Structural Information

Molecular Formula
C18H31N2O
SMILES
C[N+]1(CCCC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H30N2O/c1-20(5-2-3-6-20)7-4-17(21)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3/p+1
InChIKey
QMRFNLPDUHFBFT-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.24365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.25093 168.7
[M+Na]+ 314.23287 176.8
[M+NH4]+ 309.27747 183.2
[M+K]+ 330.20681 167.7
[M-H]- 290.23637 169.3
[M+Na-2H]- 312.21832 167.1
[M]+ 291.24310 170.4
[M]- 291.24420 170.4
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.