CID 5071

Rimantadine

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

CC(C12CC3CC(C1)CC(C3)C2)N

InChI

InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3

InChIKey

UBCHPRBFMUDMNC-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 936
References: 37701
Patents: 179.1674 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.174676	144.9
[M+Na]+	202.156618	146.3
[M-H]-	178.160124	139.7
[M+NH4]+	197.201223	171.2
[M+K]+	218.130558	143.3
[M+H-H2O]+	162.164660	139.2
[M+HCOO]-	224.165601	151.6
[M+CH3COO]-	238.181251	153.4
[M+Na-2H]-	200.142066	154.2
[M]+	179.16685142	141.9
[M]-	179.16794858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe