CID 333466

Boc-gly-gly-oh

Structural Information

Molecular Formula

C₉H₁₆N₂O₅

SMILES

CC(C)(C)OC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-4-6(12)10-5-7(13)14/h4-5H2,1-3H3,(H,10,12)(H,11,15)(H,13,14)

InChIKey

HWBAHOVOSOAFLE-UHFFFAOYSA-N

Compound name

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 655
Patents: 232.10593 Da
Monoisotopic Mass: -0.1
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]+	233.11321	151.9
[M+Na]+	255.09515	156.2
[M+NH4]+	250.13975	155.0
[M+K]+	271.06909	155.8
[M-H]-	231.09865	147.5
[M+Na-2H]-	253.08060	151.1
[M]+	232.10538	150.4
[M]-	232.10648	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe