CID 84763

52225-73-7

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

2
Annotation Hits: 0
References: 76
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]+	176.139356	140.7
[M+Na]+	198.121298	145.1
[M-H]-	174.124804	141.1
[M+NH4]+	193.165903	160.0
[M+K]+	214.095238	146.0
[M+H-H2O]+	158.129340	134.1
[M+HCOO]-	220.130281	166.0
[M+CH3COO]-	234.145931	190.5
[M+Na-2H]-	196.106746	143.6
[M]+	175.13153142	140.4
[M]-	175.13262858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe