CID 3059922

1,1-diisobutylurea

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)CN(CC(C)C)C(=O)N

InChI

InChI=1S/C9H20N2O/c1-7(2)5-11(9(10)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,12)

InChIKey

BUKFFNWRMNRRNF-UHFFFAOYSA-N

Compound name

1,1-bis(2-methylpropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 172.15756 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]+	173.16484	143.2
[M+Na]+	195.14678	150.1
[M+NH4]+	190.19138	149.9
[M+K]+	211.12072	146.8
[M-H]-	171.15028	142.9
[M+Na-2H]-	193.13223	144.9
[M]+	172.15701	143.6
[M]-	172.15811	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe