CID 84763

Guanidine, (2,2-diethoxyethyl)-, sulfate (1:1)

Structural Information

Molecular Formula

C₇H₁₇N₃O₂

SMILES

CCOC(CN=C(N)N)OCC

InChI

InChI=1S/C7H17N3O2/c1-3-11-6(12-4-2)5-10-7(8)9/h6H,3-5H2,1-2H3,(H4,8,9,10)

InChIKey

ZLOPIFKNSKCBBQ-UHFFFAOYSA-N

Compound name

2-(2,2-diethoxyethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 175.13208 Da
Monoisotopic Mass: -0.7
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]+	176.13936	140.2
[M+Na]+	198.12130	146.0
[M+NH4]+	193.16590	146.1
[M+K]+	214.09524	142.8
[M-H]-	174.12480	139.8
[M+Na-2H]-	196.10675	141.9
[M]+	175.13153	140.2
[M]-	175.13263	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe