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]+ 212.083666 141.5
[M+Na]+ 234.065608 149.4
[M-H]- 210.069114 143.1
[M+NH4]+ 229.110213 160.7
[M+K]+ 250.039548 147.8
[M+H-H2O]+ 194.073650 136.6
[M+HCOO]- 256.074591 153.7
[M+CH3COO]- 270.090241 153.0
[M+Na-2H]- 232.051056 147.9
[M]+ 211.07584142 136.3
[M]- 211.07693858 136.3
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.