CID 7004940

18822-58-7

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

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

InChI

InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1

InChIKey

DDCPKNYKNWXULB-YFKPBYRVSA-N

Compound name

(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1011
Patents: 161.1052 Da
Monoisotopic Mass: -2.5
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]+	162.11248	135.6
[M+Na]+	184.09442	142.5
[M+NH4]+	179.13902	141.4
[M+K]+	200.06836	140.7
[M-H]-	160.09792	132.8
[M+Na-2H]-	182.07987	136.7
[M]+	161.10465	135.3
[M]-	161.10575	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe