CID 54398084

87244-02-8

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m1/s1

InChIKey

VLLGKVRQXXHELH-RXMQYKEDSA-N

Compound name

tert-butyl (2R)-2,4-diamino-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.11609 Da
Monoisotopic Mass: -0.9
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]+	189.12337	143.3
[M+Na]+	211.10531	148.4
[M-H]-	187.10881	142.6
[M+NH4]+	206.14991	161.8
[M+K]+	227.07925	149.0
[M+H-H2O]+	171.11335	138.2
[M+HCOO]-	233.11429	163.8
[M+CH3COO]-	247.12994	187.6
[M+Na-2H]-	209.09076	144.6
[M]+	188.11554	141.9
[M]-	188.11664	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe