CID 231498

(cyclohexylmethyl)urea

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CCC(CC1)CNC(=O)N

InChI

InChI=1S/C8H16N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,9,10,11)

InChIKey

DZLLYADKCHLBMB-UHFFFAOYSA-N

Compound name

cyclohexylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 156.12627 Da
Monoisotopic Mass: 1.3
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	135.3
[M+Na]+	179.11549	138.4
[M-H]-	155.11899	137.3
[M+NH4]+	174.16009	154.9
[M+K]+	195.08943	137.3
[M+H-H2O]+	139.12353	129.1
[M+HCOO]-	201.12447	156.6
[M+CH3COO]-	215.14012	179.8
[M+Na-2H]-	177.10094	139.3
[M]+	156.12572	128.0
[M]-	156.12682	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe