CID 64214

25517-10-6

Structural Information

Molecular Formula
C17H29N2O
SMILES
C[N+]1(CCCC1)CC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H28N2O/c1-19(4-2-3-5-19)12-16(20)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3/p+1
InChIKey
LPINDUHOIODAMF-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.228 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.23528 161.8
[M+Na]+ 300.21722 161.4
[M-H]- 276.22072 157.9
[M+NH4]+ 295.26182 186.0
[M+K]+ 316.19116 151.7
[M+H-H2O]+ 260.22526 155.9
[M+HCOO]- 322.22620 165.6
[M+CH3COO]- 336.24185 200.6
[M+Na-2H]- 298.20267 170.5
[M]+ 277.22745 156.9
[M]- 277.22855 156.9
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.