CID 45791057

893750-62-4

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)(C)N1CC(CC1=O)CN

InChI

InChI=1S/C9H18N2O/c1-9(2,3)11-6-7(5-10)4-8(11)12/h7H,4-6,10H2,1-3H3

InChIKey

OEXQKGOAZYILFN-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-tert-butylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.1419 Da
Monoisotopic Mass: -0.3
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]+	171.149176	140.3
[M+Na]+	193.131118	147.3
[M-H]-	169.134624	142.1
[M+NH4]+	188.175723	161.2
[M+K]+	209.105058	145.9
[M+H-H2O]+	153.139160	134.9
[M+HCOO]-	215.140101	160.6
[M+CH3COO]-	229.155751	182.0
[M+Na-2H]-	191.116566	142.9
[M]+	170.14135142	137.7
[M]-	170.14244858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe