CID 18643

1-(2-(dipropylamino)ethyl)guanidine sulfate hydrate

Structural Information

Molecular Formula

C₉H₂₂N₄

SMILES

CCCN(CCC)CCN=C(N)N

InChI

InChI=1S/C9H22N4/c1-3-6-13(7-4-2)8-5-12-9(10)11/h3-8H2,1-2H3,(H4,10,11,12)

InChIKey

LBLQHWLSSRSMCB-UHFFFAOYSA-N

Compound name

2-[2-(dipropylamino)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 186.18445 Da
Monoisotopic Mass: 0.5
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]+	187.191726	147.5
[M+Na]+	209.173668	150.7
[M-H]-	185.177174	149.0
[M+NH4]+	204.218273	166.8
[M+K]+	225.147608	151.2
[M+H-H2O]+	169.181710	140.2
[M+HCOO]-	231.182651	174.2
[M+CH3COO]-	245.198301	200.1
[M+Na-2H]-	207.159116	150.0
[M]+	186.18390142	146.2
[M]-	186.18499858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe