CID 76809

3303-84-2

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

CC(C)(C)OC(=O)NCCC(=O)O

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)

InChIKey

WCFJUSRQHZPVKY-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5697
Patents: 189.10011 Da
Monoisotopic Mass: 0.4
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]+	190.10739	142.1
[M+Na]+	212.08933	148.7
[M+NH4]+	207.13393	147.0
[M+K]+	228.06327	146.8
[M-H]-	188.09283	138.6
[M+Na-2H]-	210.07478	142.9
[M]+	189.09956	141.5
[M]-	189.10066	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe