CID 131769956

Lorcaserin 7-hydroxy

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C[C@H]1CNCCC2=CC(=C(C=C12)Cl)O
InChI
InChI=1S/C11H14ClNO/c1-7-6-13-3-2-8-4-11(14)10(12)5-9(7)8/h4-5,7,13-14H,2-3,6H2,1H3/t7-/m0/s1
InChIKey
FGSDIPMZGFNZOC-ZETCQYMHSA-N
Compound name
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 141.1
[M+Na]+ 234.06561 149.0
[M-H]- 210.06911 142.7
[M+NH4]+ 229.11021 158.7
[M+K]+ 250.03955 147.9
[M+H-H2O]+ 194.07365 136.2
[M+HCOO]- 256.07459 153.4
[M+CH3COO]- 270.09024 152.6
[M+Na-2H]- 232.05106 146.0
[M]+ 211.07584 136.1
[M]- 211.07694 136.1
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.