CID 43466

60762-50-7

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

CC(C)NNC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C8H17N3O3/c1-5(2)10-11-8(14)6(9)3-4-7(12)13/h5-6,10H,3-4,9H2,1-2H3,(H,11,14)(H,12,13)

InChIKey

HGFIFOSVDVQFMV-UHFFFAOYSA-N

Compound name

4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.127 Da
Monoisotopic Mass: -3.2
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]+	204.134276	148.4
[M+Na]+	226.116218	151.3
[M-H]-	202.119724	146.4
[M+NH4]+	221.160823	165.0
[M+K]+	242.090158	151.6
[M+H-H2O]+	186.124260	142.0
[M+HCOO]-	248.125201	169.5
[M+CH3COO]-	262.140851	192.5
[M+Na-2H]-	224.101666	148.2
[M]+	203.12645142	145.1
[M]-	203.12754858	145.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.