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]+	148.108046	130.8
[M+Na]+	170.089988	135.9
[M-H]-	146.093494	130.6
[M+NH4]+	165.134593	150.9
[M+K]+	186.063928	136.3
[M+H-H2O]+	130.098030	124.7
[M+HCOO]-	192.098971	156.9
[M+CH3COO]-	206.114621	180.9
[M+Na-2H]-	168.075436	136.6
[M]+	147.10022142	129.5
[M]-	147.10131858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe