CID 106438

68039-32-7

Structural Information

Molecular Formula

C₆H₁₂N₄O₂

SMILES

COCNC(=NCOC)NC#N

InChI

InChI=1S/C6H12N4O2/c1-11-4-9-6(8-3-7)10-5-12-2/h4-5H2,1-2H3,(H2,8,9,10)

InChIKey

UAITYSAJVWQMCH-UHFFFAOYSA-N

Compound name

1-cyano-2,3-bis(methoxymethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.09602 Da
Monoisotopic Mass: -0.6
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]+	173.10330	141.6
[M+Na]+	195.08524	148.2
[M+NH4]+	190.12984	144.4
[M+K]+	211.05918	141.0
[M-H]-	171.08874	134.5
[M+Na-2H]-	193.07069	142.2
[M]+	172.09547	139.2
[M]-	172.09657	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.