CID 14348682

1246210-77-4

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC(C2=C(C1)C=CC(=C2)O)N

InChI

InChI=1S/C10H13NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h4-6,10,12H,1-3,11H2

InChIKey

SXQYMLTXGOSXPE-UHFFFAOYSA-N

Compound name

8-amino-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
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]+	164.106996	132.8
[M+Na]+	186.088938	139.8
[M-H]-	162.092444	135.5
[M+NH4]+	181.133543	153.6
[M+K]+	202.062878	136.5
[M+H-H2O]+	146.096980	127.4
[M+HCOO]-	208.097921	153.2
[M+CH3COO]-	222.113571	178.3
[M+Na-2H]-	184.074386	139.3
[M]+	163.09917142	127.6
[M]-	163.10026858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe