CID 84077271

2770368-64-2

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

CNC1CCN(C1)C(=O)N

InChI

InChI=1S/C6H13N3O/c1-8-5-2-3-9(4-5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)

InChIKey

STWYOHYJSCZMRP-UHFFFAOYSA-N

Compound name

3-(methylamino)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 143.10587 Da
Monoisotopic Mass: -1.1
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]+	144.113146	130.8
[M+Na]+	166.095088	136.5
[M-H]-	142.098594	132.4
[M+NH4]+	161.139693	151.8
[M+K]+	182.069028	135.9
[M+H-H2O]+	126.103130	124.2
[M+HCOO]-	188.104071	153.6
[M+CH3COO]-	202.119721	177.2
[M+Na-2H]-	164.080536	133.9
[M]+	143.10532142	125.7
[M]-	143.10641858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe