CID 115595338

1595896-89-1

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CNC(=O)N(C)CCCOC

InChI

InChI=1S/C7H16N2O2/c1-8-7(10)9(2)5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)

InChIKey

KKDNDTHILSFRNY-UHFFFAOYSA-N

Compound name

1-(3-methoxypropyl)-1,3-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.12119 Da
Monoisotopic Mass: -0.2
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]+	161.12847	136.6
[M+Na]+	183.11041	144.3
[M+NH4]+	178.15501	143.4
[M+K]+	199.08435	140.2
[M-H]-	159.11391	136.4
[M+Na-2H]-	181.09586	139.6
[M]+	160.12064	137.2
[M]-	160.12174	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe