CID 215877

1,1-dipropyl-3-methylurea

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCCN(CCC)C(=O)NC

InChI

InChI=1S/C8H18N2O/c1-4-6-10(7-5-2)8(11)9-3/h4-7H2,1-3H3,(H,9,11)

InChIKey

ODJCKHUIAVVZBX-UHFFFAOYSA-N

Compound name

3-methyl-1,1-dipropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 158.1419 Da
Monoisotopic Mass: 1.3
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]+	159.149176	139.0
[M+Na]+	181.131118	144.0
[M-H]-	157.134624	140.5
[M+NH4]+	176.175723	160.1
[M+K]+	197.105058	144.9
[M+H-H2O]+	141.139160	133.1
[M+HCOO]-	203.140101	164.1
[M+CH3COO]-	217.155751	187.0
[M+Na-2H]-	179.116566	143.3
[M]+	158.14135142	140.6
[M]-	158.14244858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe