CID 546250

62056-54-6

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C)(C)C(=O)NCCC1=CC=CC=C1

InChI

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

InChIKey

WFCFPUJKBRCPGJ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-N-(2-phenylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 205.14667 Da
Monoisotopic Mass: 2.9
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]+	206.15395	149.1
[M+Na]+	228.13589	154.6
[M-H]-	204.13939	152.4
[M+NH4]+	223.18049	168.0
[M+K]+	244.10983	152.5
[M+H-H2O]+	188.14393	143.1
[M+HCOO]-	250.14487	171.3
[M+CH3COO]-	264.16052	189.2
[M+Na-2H]-	226.12134	154.9
[M]+	205.14612	149.2
[M]-	205.14722	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe