CID 6426753

33019-84-0

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(C)(C)C

InChI

InChI=1S/C11H21NO3/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey

OLZMLDKOPZADGZ-QMMMGPOBSA-N

Compound name

(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 215.15215 Da
Monoisotopic Mass: 2.3
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]+	216.159426	152.2
[M+Na]+	238.141368	156.3
[M-H]-	214.144874	150.8
[M+NH4]+	233.185973	169.8
[M+K]+	254.115308	156.5
[M+H-H2O]+	198.149410	147.5
[M+HCOO]-	260.150351	169.6
[M+CH3COO]-	274.166001	191.1
[M+Na-2H]-	236.126816	152.3
[M]+	215.15160142	152.4
[M]-	215.15269858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe