CID 43164140

3-amino-1-(3-methoxypropyl)urea

Structural Information

Molecular Formula

C₅H₁₃N₃O₂

SMILES

COCCCNC(=O)NN

InChI

InChI=1S/C5H13N3O2/c1-10-4-2-3-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)

InChIKey

DHFZKPSHEWAJNI-UHFFFAOYSA-N

Compound name

1-amino-3-(3-methoxypropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.10077 Da
Monoisotopic Mass: -1.8
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]+	148.10805	131.2
[M+Na]+	170.08999	137.5
[M+NH4]+	165.13459	137.4
[M+K]+	186.06393	134.0
[M-H]-	146.09349	130.7
[M+Na-2H]-	168.07544	133.6
[M]+	147.10022	131.3
[M]-	147.10132	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe