CID 12725

Isopropylurea

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

CC(C)NC(=O)N

InChI

InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

InChIKey

LZMATGARSSLFMQ-UHFFFAOYSA-N

Compound name

propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2300
Patents: 102.079315 Da
Monoisotopic Mass: -0.2
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	121.3
[M+Na]+	125.06853	127.5
[M-H]-	101.07204	121.4
[M+NH4]+	120.11314	143.5
[M+K]+	141.04247	128.1
[M+H-H2O]+	85.076575	116.4
[M+HCOO]-	147.07752	145.5
[M+CH3COO]-	161.09317	172.2
[M+Na-2H]-	123.05398	126.0
[M]+	102.07877	118.4
[M]-	102.07986	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe