CID 656502

(r)-2-methylimino-1-phenylpropan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(=NC)[C@@H](C1=CC=CC=C1)O

InChI

InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/t10-/m0/s1

InChIKey

WJOBFSVTSCWIDG-JTQLQIEISA-N

Compound name

(1R)-2-methylimino-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	135.7
[M+Na]+	186.088938	141.7
[M-H]-	162.092444	139.3
[M+NH4]+	181.133543	156.0
[M+K]+	202.062878	140.4
[M+H-H2O]+	146.096980	129.7
[M+HCOO]-	208.097921	159.4
[M+CH3COO]-	222.113571	181.3
[M+Na-2H]-	184.074386	141.2
[M]+	163.09917142	134.6
[M]-	163.10026858	134.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.