CID 20115193

(piperidin-3-ylmethyl)urea

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

C1CC(CNC1)CNC(=O)N

InChI

InChI=1S/C7H15N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h6,9H,1-5H2,(H3,8,10,11)

InChIKey

DBPIXMWADUFFDW-UHFFFAOYSA-N

Compound name

piperidin-3-ylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 157.1215 Da
Monoisotopic Mass: -0.7
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]+	158.12878	135.4
[M+Na]+	180.11072	138.5
[M-H]-	156.11422	134.7
[M+NH4]+	175.15532	152.9
[M+K]+	196.08466	136.7
[M+H-H2O]+	140.11876	128.6
[M+HCOO]-	202.11970	154.3
[M+CH3COO]-	216.13535	177.0
[M+Na-2H]-	178.09617	139.5
[M]+	157.12095	126.4
[M]-	157.12205	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe