CID 17389826

910443-18-4

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)C1=CC=C(C=C1)C(CO)N

InChI

InChI=1S/C11H17NO/c1-8(2)9-3-5-10(6-4-9)11(12)7-13/h3-6,8,11,13H,7,12H2,1-2H3

InChIKey

XUXBDVIKYGKHEV-UHFFFAOYSA-N

Compound name

2-amino-2-(4-propan-2-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
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]+	180.13829	142.2
[M+Na]+	202.12023	147.9
[M-H]-	178.12373	143.9
[M+NH4]+	197.16483	161.1
[M+K]+	218.09417	145.7
[M+H-H2O]+	162.12827	136.4
[M+HCOO]-	224.12921	163.2
[M+CH3COO]-	238.14486	183.8
[M+Na-2H]-	200.10568	144.7
[M]+	179.13046	139.7
[M]-	179.13156	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe