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: 2
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]+	143.081506	136.6
[M+Na]+	165.063448	146.7
[M-H]-	141.066954	138.0
[M+NH4]+	160.108053	154.4
[M+K]+	181.037388	144.4
[M+H-H2O]+	125.071490	131.0
[M+HCOO]-	187.072431	155.0
[M+CH3COO]-	201.088081	172.7
[M+Na-2H]-	163.048896	142.5
[M]+	142.07368142	138.1
[M]-	142.07477858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe