CID 84659347

860437-56-5

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1CNCC2=CC(=C(C=C21)Cl)O
InChI
InChI=1S/C9H10ClNO/c10-8-3-6-1-2-11-5-7(6)4-9(8)12/h3-4,11-12H,1-2,5H2
InChIKey
QWRJXTRZXKXBQN-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydroisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 135.3
[M+Na]+ 206.03431 144.0
[M-H]- 182.03781 135.6
[M+NH4]+ 201.07891 154.7
[M+K]+ 222.00825 138.5
[M+H-H2O]+ 166.04235 130.4
[M+HCOO]- 228.04329 148.3
[M+CH3COO]- 242.05894 147.5
[M+Na-2H]- 204.01976 142.1
[M]+ 183.04454 132.2
[M]- 183.04564 132.2
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.