CID 14853163

127428-64-2

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

InChI=1S/C12H19NO/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11,14H,8,13H2,1-3H3

InChIKey

TXUFIGBVDCUITR-UHFFFAOYSA-N

Compound name

2-amino-2-(4-tert-butylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 193.14667 Da
Monoisotopic Mass: 1.8
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]+	194.15395	146.2
[M+Na]+	216.13589	152.2
[M-H]-	192.13939	148.0
[M+NH4]+	211.18049	164.9
[M+K]+	232.10983	149.8
[M+H-H2O]+	176.14393	140.9
[M+HCOO]-	238.14487	166.3
[M+CH3COO]-	252.16052	185.7
[M+Na-2H]-	214.12134	150.2
[M]+	193.14612	144.1
[M]-	193.14722	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe