CID 28820384

2137069-12-4

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CNC[C@@H]1CCC(=O)N1

InChI

InChI=1S/C6H12N2O/c1-7-4-5-2-3-6(9)8-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey

NKDYHCPYSXTJNL-YFKPBYRVSA-N

Compound name

(5S)-5-(methylaminomethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 128.09496 Da
Monoisotopic Mass: -0.8
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]+	129.10224	126.9
[M+Na]+	151.08418	133.2
[M-H]-	127.08768	127.5
[M+NH4]+	146.12878	148.4
[M+K]+	167.05812	131.6
[M+H-H2O]+	111.09222	120.9
[M+HCOO]-	173.09316	148.8
[M+CH3COO]-	187.10881	170.1
[M+Na-2H]-	149.06963	131.4
[M]+	128.09441	122.4
[M]-	128.09551	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe