CID 42372

57469-93-9

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10(14)12(15)16-13(2,3)9-11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3

InChIKey

DBJMQQYTLQAQJG-UHFFFAOYSA-N

Compound name

(2-methyl-1-phenylpropan-2-yl) 2-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 221.14159 Da
Monoisotopic Mass: 2.2
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]+	222.148866	152.6
[M+Na]+	244.130808	157.7
[M-H]-	220.134314	155.4
[M+NH4]+	239.175413	170.4
[M+K]+	260.104748	156.3
[M+H-H2O]+	204.138850	146.5
[M+HCOO]-	266.139791	173.4
[M+CH3COO]-	280.155441	192.1
[M+Na-2H]-	242.116256	156.2
[M]+	221.14104142	152.6
[M]-	221.14213858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe