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 166.3
[M+Na]+ 314.23287 165.4
[M-H]- 290.23637 162.1
[M+NH4]+ 309.27747 189.9
[M+K]+ 330.20681 155.5
[M+H-H2O]+ 274.24091 160.1
[M+HCOO]- 336.24185 169.7
[M+CH3COO]- 350.25750 203.5
[M+Na-2H]- 312.21832 174.4
[M]+ 291.24310 161.6
[M]- 291.24420 161.6
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.