CID 3051607

67510-89-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CC(C(=O)NC(C)(C)CC1=CC=CC=C1)N

InChI

InChI=1S/C13H20N2O/c1-10(14)12(16)15-13(2,3)9-11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3,(H,15,16)

InChIKey

WSEFWDKZXLGPSU-UHFFFAOYSA-N

Compound name

2-amino-N-(2-methyl-1-phenylpropan-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.15756 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]+	221.16484	153.4
[M+Na]+	243.14678	157.7
[M-H]-	219.15028	156.1
[M+NH4]+	238.19138	170.8
[M+K]+	259.12072	155.7
[M+H-H2O]+	203.15482	147.0
[M+HCOO]-	265.15576	175.0
[M+CH3COO]-	279.17141	195.1
[M+Na-2H]-	241.13223	157.2
[M]+	220.15701	151.1
[M]-	220.15811	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe