CID 2755971

56074-20-5

Structural Information

Molecular Formula

C₉H₁₅NO₆

SMILES

CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)

InChIKey

QPGIJQUTGABQLQ-UHFFFAOYSA-N

Compound name

2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 622
Patents: 233.08994 Da
Monoisotopic Mass: 0.3
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]+	234.09722	150.0
[M+Na]+	256.07916	154.7
[M+NH4]+	251.12376	152.9
[M+K]+	272.05310	155.4
[M-H]-	232.08266	144.7
[M+Na-2H]-	254.06461	148.8
[M]+	233.08939	148.3
[M]-	233.09049	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe