CID 55899

N-methyl-1,6-diazabicyclo(3.1.0)hexane-5-carboxamide

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CNC(=O)C12CCCN1N2

InChI

InChI=1S/C6H11N3O/c1-7-5(10)6-3-2-4-9(6)8-6/h8H,2-4H2,1H3,(H,7,10)

InChIKey

YUTDFIMDLUJOJK-UHFFFAOYSA-N

Compound name

N-methyl-1,6-diazabicyclo[3.1.0]hexane-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.09021 Da
Monoisotopic Mass: -0.4
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]+	142.097486	134.8
[M+Na]+	164.079428	144.1
[M-H]-	140.082934	136.2
[M+NH4]+	159.124033	152.4
[M+K]+	180.053368	141.3
[M+H-H2O]+	124.087470	129.1
[M+HCOO]-	186.088411	154.1
[M+CH3COO]-	200.104061	175.3
[M+Na-2H]-	162.064876	141.4
[M]+	141.08966142	134.3
[M]-	141.09075858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe