CID 10511205

2567489-70-5

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CN[C@@H]1[C@@H](CC2=CC=CC=C12)O

InChI

InChI=1S/C10H13NO/c1-11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3/t9-,10+/m1/s1

InChIKey

XRSKXRSFBQMVOK-ZJUUUORDSA-N

Compound name

(1S,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 163.09972 Da
Monoisotopic Mass: 0.7
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	132.9
[M+Na]+	186.088938	140.8
[M-H]-	162.092444	136.4
[M+NH4]+	181.133543	155.9
[M+K]+	202.062878	137.7
[M+H-H2O]+	146.096980	127.9
[M+HCOO]-	208.097921	156.1
[M+CH3COO]-	222.113571	178.5
[M+Na-2H]-	184.074386	139.0
[M]+	163.09917142	130.9
[M]-	163.10026858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe