CID 69270

1,1-dipropylurea

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCN(CCC)C(=O)N

InChI

InChI=1S/C7H16N2O/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3,(H2,8,10)

InChIKey

KTKDYVVUGTXLJK-UHFFFAOYSA-N

Compound name

1,1-dipropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 936
Patents: 144.12627 Da
Monoisotopic Mass: 0.9
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]+	145.133546	134.5
[M+Na]+	167.115488	139.9
[M-H]-	143.118994	135.6
[M+NH4]+	162.160093	155.8
[M+K]+	183.089428	140.7
[M+H-H2O]+	127.123530	128.8
[M+HCOO]-	189.124471	159.3
[M+CH3COO]-	203.140121	183.9
[M+Na-2H]-	165.100936	138.2
[M]+	144.12572142	134.7
[M]-	144.12681858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe