CID 22117928

712270-40-1

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC(=O)N1CCC(C1)C(=O)O

InChI

InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)

InChIKey

FEQQMBBBBFVNMN-UHFFFAOYSA-N

Compound name

1-acetylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 157.0739 Da
Monoisotopic Mass: -0.6
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]+	158.08118	132.9
[M+Na]+	180.06312	139.5
[M-H]-	156.06662	133.7
[M+NH4]+	175.10772	153.4
[M+K]+	196.03706	139.1
[M+H-H2O]+	140.07116	127.4
[M+HCOO]-	202.07210	152.2
[M+CH3COO]-	216.08775	172.6
[M+Na-2H]-	178.04857	134.3
[M]+	157.07335	130.4
[M]-	157.07445	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe