CID 49767733

2-[(4-chlorophenyl)methylamino]tetralin-6-ol

Structural Information

Molecular Formula
C17H18ClNO
SMILES
C1CC2=C(CC1NCC3=CC=C(C=C3)Cl)C=CC(=C2)O
InChI
InChI=1S/C17H18ClNO/c18-15-5-1-12(2-6-15)11-19-16-7-3-14-10-17(20)8-4-13(14)9-16/h1-2,4-6,8,10,16,19-20H,3,7,9,11H2
InChIKey
NTRIZXZTCYKWDO-UHFFFAOYSA-N
Compound name
6-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 164.7
[M+Na]+ 310.09692 171.7
[M-H]- 286.10042 170.2
[M+NH4]+ 305.14152 181.3
[M+K]+ 326.07086 164.7
[M+H-H2O]+ 270.10496 157.8
[M+HCOO]- 332.10590 180.1
[M+CH3COO]- 346.12155 175.5
[M+Na-2H]- 308.08237 169.6
[M]+ 287.10715 163.1
[M]- 287.10825 163.1
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.