CID 423813

3-(tert-butylamino)propiophenone hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C)(C)NCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO/c1-13(2,3)14-10-9-12(15)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3

InChIKey

GAJKPCUFHJCUFG-UHFFFAOYSA-N

Compound name

3-(tert-butylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 205.14667 Da
Monoisotopic Mass: 2.1
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]+	206.153946	148.9
[M+Na]+	228.135888	154.3
[M-H]-	204.139394	152.1
[M+NH4]+	223.180493	167.7
[M+K]+	244.109828	152.2
[M+H-H2O]+	188.143930	142.9
[M+HCOO]-	250.144871	171.1
[M+CH3COO]-	264.160521	189.9
[M+Na-2H]-	226.121336	154.7
[M]+	205.14612142	149.1
[M]-	205.14721858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe