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
7
Annotation Hits

325
References

7025
Patents

195.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 137.6
[M+Na]+ 218.07070 145.1
[M-H]- 194.07420 140.1
[M+NH4]+ 213.11530 156.2
[M+K]+ 234.04464 143.9
[M+H-H2O]+ 178.07874 132.4
[M+HCOO]- 240.07968 151.1
[M+CH3COO]- 254.09533 149.5
[M+Na-2H]- 216.05615 143.5
[M]+ 195.08093 132.6
[M]- 195.08203 132.6
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.