CID 11658860

Lorcaserin

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C[C@H]1CNCCC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1

InChIKey

XTTZERNUQAFMOF-QMMMGPOBSA-N

Compound name

(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 324
References: 7658
Patents: 195.08148 Da
Monoisotopic Mass: 2.7
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]+	196.08876	137.3
[M+Na]+	218.07070	149.5
[M+NH4]+	213.11530	146.5
[M+K]+	234.04464	143.2
[M-H]-	194.07420	139.8
[M+Na-2H]-	216.05615	143.8
[M]+	195.08093	140.1
[M]-	195.08203	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe