CID 541973

Penmacric acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₅

SMILES

C1C(C(=O)NC1C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)

InChIKey

QEFCFJFZZLNSPP-UHFFFAOYSA-N

Compound name

4-[amino(carboxy)methyl]-5-oxopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 202.05898 Da
Monoisotopic Mass: -3.8
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]+	203.06626	141.4
[M+Na]+	225.04820	146.7
[M-H]-	201.05170	139.2
[M+NH4]+	220.09280	157.7
[M+K]+	241.02214	145.3
[M+H-H2O]+	185.05624	135.8
[M+HCOO]-	247.05718	157.5
[M+CH3COO]-	261.07283	179.1
[M+Na-2H]-	223.03365	139.4
[M]+	202.05843	135.3
[M]-	202.05953	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe