CID 280973

90084-49-4

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

C1CNC(C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)

InChIKey

ZLSOKZQPVJYNKB-UHFFFAOYSA-N

Compound name

piperazine-2,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 139
Patents: 174.06406 Da
Monoisotopic Mass: -6.2
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]+	175.07134	137.0
[M+Na]+	197.05328	143.8
[M+NH4]+	192.09788	141.2
[M+K]+	213.02722	142.6
[M-H]-	173.05678	133.0
[M+Na-2H]-	195.03873	137.2
[M]+	174.06351	136.0
[M]-	174.06461	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe