CID 9817970

1909336-16-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₄S

SMILES

C(C(=O)NCC(=O)O)NC(=O)CS

InChI

InChI=1S/C6H10N2O4S/c9-4(8-2-6(11)12)1-7-5(10)3-13/h13H,1-3H2,(H,7,10)(H,8,9)(H,11,12)

InChIKey

VRDXYRIUHRFBGD-UHFFFAOYSA-N

Compound name

2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 206.03613 Da
Monoisotopic Mass: -1.2
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]+	207.04341	144.8
[M+Na]+	229.02535	149.6
[M+NH4]+	224.06995	149.4
[M+K]+	244.99929	146.1
[M-H]-	205.02885	141.8
[M+Na-2H]-	227.01080	144.5
[M]+	206.03558	144.3
[M]-	206.03668	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe