CID 3017824

(2-aminoethyl)guanidine dihydrochloride

Structural Information

Molecular Formula

C₃H₁₀N₄

SMILES

C(CN=C(N)N)N

InChI

InChI=1S/C3H10N4/c4-1-2-7-3(5)6/h1-2,4H2,(H4,5,6,7)

InChIKey

MXDAOHAPVWZSQU-UHFFFAOYSA-N

Compound name

2-(2-aminoethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 102.090546 Da
Monoisotopic Mass: -2.3
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]+	103.09782	119.5
[M+Na]+	125.07976	125.8
[M+NH4]+	120.12437	126.7
[M+K]+	141.05370	122.4
[M-H]-	101.08327	120.6
[M+Na-2H]-	123.06521	122.8
[M]+	102.09000	120.0
[M]-	102.09109	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe