CID 12303

N-propylurea

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

CCCNC(=O)N

InChI

InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)

InChIKey

ZQZJKHIIQFPZCS-UHFFFAOYSA-N

Compound name

propylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 5440
Patents: 102.079315 Da
Monoisotopic Mass: 0.1
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]+	103.08659	120.5
[M+Na]+	125.06853	126.9
[M-H]-	101.07204	120.6
[M+NH4]+	120.11314	142.8
[M+K]+	141.04247	127.0
[M+H-H2O]+	85.076575	115.5
[M+HCOO]-	147.07752	145.7
[M+CH3COO]-	161.09317	171.3
[M+Na-2H]-	123.05398	126.6
[M]+	102.07877	118.3
[M]-	102.07986	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe