CID 308344

1-cyclohexyl-3-methylurea

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CNC(=O)NC1CCCCC1

InChI

InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)

InChIKey

YKLDLMXTBHWMPV-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 156.12627 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]+	157.13355	135.9
[M+Na]+	179.11549	144.0
[M+NH4]+	174.16009	144.1
[M+K]+	195.08943	138.7
[M-H]-	155.11899	138.3
[M+Na-2H]-	177.10094	140.6
[M]+	156.12572	137.3
[M]-	156.12682	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe