CID 244040

1-aminocyclopentane-1,2-dicarboxylic acid

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

C1CC(C(C1)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C7H11NO4/c8-7(6(11)12)3-1-2-4(7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)

InChIKey

ICCJHMNYUMDWSP-UHFFFAOYSA-N

Compound name

1-aminocyclopentane-1,2-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 173.0688 Da
Monoisotopic Mass: -2.6
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]+	174.07608	135.4
[M+Na]+	196.05802	141.4
[M-H]-	172.06152	135.8
[M+NH4]+	191.10262	157.0
[M+K]+	212.03196	140.3
[M+H-H2O]+	156.06606	131.6
[M+HCOO]-	218.06700	154.9
[M+CH3COO]-	232.08265	174.3
[M+Na-2H]-	194.04347	137.1
[M]+	173.06825	130.6
[M]-	173.06935	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe