CID 23635737

2-(benzylamino)tetralin-5-ol

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

C1CC2=C(CC1NCC3=CC=CC=C3)C=CC=C2O

InChI

InChI=1S/C17H19NO/c19-17-8-4-7-14-11-15(9-10-16(14)17)18-12-13-5-2-1-3-6-13/h1-8,15,18-19H,9-12H2

InChIKey

MICQCAYAHFBNRP-UHFFFAOYSA-N

Compound name

6-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.14667 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.153946	157.0
[M+Na]+	276.135888	162.2
[M-H]-	252.139394	162.5
[M+NH4]+	271.180493	173.8
[M+K]+	292.109828	156.9
[M+H-H2O]+	236.143930	149.2
[M+HCOO]-	298.144871	177.0
[M+CH3COO]-	312.160521	167.9
[M+Na-2H]-	274.121336	163.3
[M]+	253.14612142	152.6
[M]-	253.14721858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe