CID 210426

21260-54-8

Structural Information

Molecular Formula

C₁₀H₂₂N₂O

SMILES

CCCCN(CCCC)C(=O)NC

InChI

InChI=1S/C10H22N2O/c1-4-6-8-12(9-7-5-2)10(13)11-3/h4-9H2,1-3H3,(H,11,13)

InChIKey

QRCDREJTSRDZKB-UHFFFAOYSA-N

Compound name

1,1-dibutyl-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 186.17322 Da
Monoisotopic Mass: 2.1
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]+	187.180496	148.2
[M+Na]+	209.162438	152.4
[M-H]-	185.165944	149.3
[M+NH4]+	204.207043	168.3
[M+K]+	225.136378	152.8
[M+H-H2O]+	169.170480	142.0
[M+HCOO]-	231.171421	172.7
[M+CH3COO]-	245.187071	193.1
[M+Na-2H]-	207.147886	151.5
[M]+	186.17267142	150.6
[M]-	186.17376858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe