CID 77991

Rivastigmine

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C

InChI

InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1

InChIKey

XSVMFMHYUFZWBK-NSHDSACASA-N

Compound name

[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2058
References: 43464
Patents: 250.16812 Da
Monoisotopic Mass: 2.3
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]+	251.175396	161.1
[M+Na]+	273.157338	165.7
[M-H]-	249.160844	167.2
[M+NH4]+	268.201943	179.1
[M+K]+	289.131278	166.9
[M+H-H2O]+	233.165380	153.5
[M+HCOO]-	295.166321	185.7
[M+CH3COO]-	309.181971	207.9
[M+Na-2H]-	271.142786	162.5
[M]+	250.16757142	165.0
[M]-	250.16866858	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe