CID 44827665

4-(aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(C)N1CC(CC1=O)CN

InChI

InChI=1S/C8H16N2O/c1-6(2)10-5-7(4-9)3-8(10)11/h6-7H,3-5,9H2,1-2H3

InChIKey

VLIAZARVPPDEJV-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.12627 Da
Monoisotopic Mass: -0.5
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]+	157.13355	136.0
[M+Na]+	179.11549	142.6
[M-H]-	155.11899	137.6
[M+NH4]+	174.16009	157.1
[M+K]+	195.08943	141.5
[M+H-H2O]+	139.12353	129.9
[M+HCOO]-	201.12447	157.1
[M+CH3COO]-	215.14012	180.2
[M+Na-2H]-	177.10094	137.0
[M]+	156.12572	132.8
[M]-	156.12682	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe