CID 55898

Brn 4387327

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

COC(=O)C12CCCN1N2

InChI

InChI=1S/C6H10N2O2/c1-10-5(9)6-3-2-4-8(6)7-6/h7H,2-4H2,1H3

InChIKey

IXBSTSGUADVGCF-UHFFFAOYSA-N

Compound name

methyl 1,6-diazabicyclo[3.1.0]hexane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.07423 Da
Monoisotopic Mass: 0.2
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]+	143.08151	134.0
[M+Na]+	165.06345	144.5
[M+NH4]+	160.10805	143.3
[M+K]+	181.03739	141.5
[M-H]-	141.06695	139.7
[M+Na-2H]-	163.04890	140.2
[M]+	142.07368	138.0
[M]-	142.07478	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe