CID 145996806

Ns00117228

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCN[C@@H](C)CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C11H17NO2/c1-3-12-8(2)6-9-4-5-10(13)11(14)7-9/h4-5,7-8,12-14H,3,6H2,1-2H3/t8-/m0/s1

InChIKey

CKUGRMSDBDIJRN-QMMMGPOBSA-N

Compound name

4-[(2S)-2-(ethylamino)propyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.12593 Da
Monoisotopic Mass: 0.3
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]+	196.13321	144.3
[M+Na]+	218.11515	155.0
[M+NH4]+	213.15975	151.7
[M+K]+	234.08909	149.7
[M-H]-	194.11865	145.7
[M+Na-2H]-	216.10060	149.3
[M]+	195.12538	146.0
[M]-	195.12648	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.