CID 85395

16395-58-7

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CC(=O)N1CCC[C@H]1C(=O)N

InChI

InChI=1S/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1

InChIKey

CXURPNUIYCJENH-LURJTMIESA-N

Compound name

(2S)-1-acetylpyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 127
Patents: 156.08987 Da
Monoisotopic Mass: -1.3
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]+	157.097146	134.0
[M+Na]+	179.079088	140.2
[M-H]-	155.082594	135.6
[M+NH4]+	174.123693	154.7
[M+K]+	195.053028	139.7
[M+H-H2O]+	139.087130	127.9
[M+HCOO]-	201.088071	154.9
[M+CH3COO]-	215.103721	177.4
[M+Na-2H]-	177.064536	135.1
[M]+	156.08932142	130.1
[M]-	156.09041858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe