CID 18759970

3-methyl-1-(piperidin-4-yl)urea hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CNC(=O)NC1CCNCC1

InChI

InChI=1S/C7H15N3O/c1-8-7(11)10-6-2-4-9-5-3-6/h6,9H,2-5H2,1H3,(H2,8,10,11)

InChIKey

NGWNLUZOEYRHAX-UHFFFAOYSA-N

Compound name

1-methyl-3-piperidin-4-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 157.1215 Da
Monoisotopic Mass: -0.5
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]+	158.128776	135.4
[M+Na]+	180.110718	138.6
[M-H]-	156.114224	135.3
[M+NH4]+	175.155323	153.3
[M+K]+	196.084658	137.1
[M+H-H2O]+	140.118760	128.6
[M+HCOO]-	202.119701	154.9
[M+CH3COO]-	216.135351	176.9
[M+Na-2H]-	178.096166	140.6
[M]+	157.12095142	127.3
[M]-	157.12204858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe