CID 3052776

Rasagiline

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C#CCN[C@@H]1CCC2=CC=CC=C12

InChI

InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1

InChIKey

RUOKEQAAGRXIBM-GFCCVEGCSA-N

Compound name

(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 756
References: 18434
Patents: 171.1048 Da
Monoisotopic Mass: 1.8
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]+	172.11208	141.2
[M+Na]+	194.09402	151.3
[M-H]-	170.09752	143.7
[M+NH4]+	189.13862	161.7
[M+K]+	210.06796	144.5
[M+H-H2O]+	154.10206	129.5
[M+HCOO]-	216.10300	159.3
[M+CH3COO]-	230.11865	152.8
[M+Na-2H]-	192.07947	146.0
[M]+	171.10425	134.1
[M]-	171.10535	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe