CID 7019732

70701-78-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-9(2,3)14-7(12)5-4-6(10)8(11)13/h6H,4-5,10H2,1-3H3,(H2,11,13)/t6-/m0/s1

InChIKey

BRWIPGSUTYVUBF-LURJTMIESA-N

Compound name

tert-butyl (4S)-4,5-diamino-5-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 538
Patents: 202.13174 Da
Monoisotopic Mass: -0.6
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]+	203.13902	147.3
[M+Na]+	225.12096	152.4
[M+NH4]+	220.16556	152.0
[M+K]+	241.09490	151.2
[M-H]-	201.12446	144.5
[M+Na-2H]-	223.10641	147.2
[M]+	202.13119	146.6
[M]-	202.13229	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe