CID 13187513

7662-24-0

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CC(C)NCC(C1=CC=C(C=C1)N)O

InChI

InChI=1S/C11H18N2O/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7,12H2,1-2H3

InChIKey

BHURBFXYVURCEV-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.1419 Da
Monoisotopic Mass: 0.6
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]+	195.14918	146.1
[M+Na]+	217.13112	150.9
[M-H]-	193.13462	147.7
[M+NH4]+	212.17572	164.0
[M+K]+	233.10506	148.7
[M+H-H2O]+	177.13916	139.8
[M+HCOO]-	239.14010	168.1
[M+CH3COO]-	253.15575	189.0
[M+Na-2H]-	215.11657	148.9
[M]+	194.14135	142.8
[M]-	194.14245	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe