CID 59166454

181518-87-6

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N[C@@H](CCN(C)C)C(=O)O

InChI

InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1

InChIKey

YEKMUOMXRLSQDM-QMMMGPOBSA-N

Compound name

(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 246.15796 Da
Monoisotopic Mass: -1.3
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]+	247.165236	158.9
[M+Na]+	269.147178	162.4
[M-H]-	245.150684	158.8
[M+NH4]+	264.191783	175.6
[M+K]+	285.121118	164.2
[M+H-H2O]+	229.155220	153.1
[M+HCOO]-	291.156161	179.0
[M+CH3COO]-	305.171811	200.2
[M+Na-2H]-	267.132626	159.8
[M]+	246.15741142	161.4
[M]-	246.15850858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe