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 141.5
[M+Na]+ 234.06561 149.4
[M-H]- 210.06911 143.1
[M+NH4]+ 229.11021 160.7
[M+K]+ 250.03955 147.8
[M+H-H2O]+ 194.07365 136.6
[M+HCOO]- 256.07459 153.7
[M+CH3COO]- 270.09024 153.0
[M+Na-2H]- 232.05106 147.9
[M]+ 211.07584 136.3
[M]- 211.07694 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.