CID 533905

72156-33-3

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

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

InChIKey

NRVOOKOHYKJCPB-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 61
Patents: 193.14667 Da
Monoisotopic Mass: 1.6
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]+	194.15395	146.1
[M+Na]+	216.13589	151.2
[M-H]-	192.13939	148.0
[M+NH4]+	211.18049	164.7
[M+K]+	232.10983	149.0
[M+H-H2O]+	176.14393	140.4
[M+HCOO]-	238.14487	166.9
[M+CH3COO]-	252.16052	185.1
[M+Na-2H]-	214.12134	151.9
[M]+	193.14612	144.7
[M]-	193.14722	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe