CID 21420

N,n'-di(tert-butyl)urea

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)(C)NC(=O)NC(C)(C)C

InChI

InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)

InChIKey

WSABLXKFAPKFSO-UHFFFAOYSA-N

Compound name

1,3-ditert-butylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 172.15756 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]+	173.16484	142.3
[M+Na]+	195.14678	147.9
[M-H]-	171.15028	142.9
[M+NH4]+	190.19138	162.7
[M+K]+	211.12072	148.0
[M+H-H2O]+	155.15482	138.1
[M+HCOO]-	217.15576	163.6
[M+CH3COO]-	231.17141	185.9
[M+Na-2H]-	193.13223	148.5
[M]+	172.15701	141.9
[M]-	172.15811	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe