CID 65784

Oxaceprol

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O

InChI

InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1

InChIKey

BAPRUDZDYCKSOQ-RITPCOANSA-N

Compound name

(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 48
References: 7771
Patents: 173.0688 Da
Monoisotopic Mass: -1.1
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	136.9
[M+Na]+	196.05802	144.2
[M+NH4]+	191.10262	142.3
[M+K]+	212.03196	144.1
[M-H]-	172.06152	134.1
[M+Na-2H]-	194.04347	137.4
[M]+	173.06825	136.5
[M]-	173.06935	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe