CID 77570492

1-hydroxylorcaserin

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1(CNCCC2=C1C=C(C=C2)Cl)O
InChI
InChI=1S/C11H14ClNO/c1-11(14)7-13-5-4-8-2-3-9(12)6-10(8)11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKey
AHFHLPCZDZHXDN-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-1,2,3,4-tetrahydro-3-benzazepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 138.4
[M+Na]+ 234.06561 149.8
[M+NH4]+ 229.11021 148.1
[M+K]+ 250.03955 142.9
[M-H]- 210.06911 140.0
[M+Na-2H]- 232.05106 145.5
[M]+ 211.07584 140.9
[M]- 211.07694 140.9
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.