CID 199098

(1-methylcyclohexyl)urea

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC1(CCCCC1)NC(=O)N

InChI

InChI=1S/C8H16N2O/c1-8(10-7(9)11)5-3-2-4-6-8/h2-6H2,1H3,(H3,9,10,11)

InChIKey

BDAOVJXWRKUWIE-UHFFFAOYSA-N

Compound name

(1-methylcyclohexyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.12627 Da
Monoisotopic Mass: 1.0
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	135.1
[M+Na]+	179.11549	139.1
[M-H]-	155.11899	137.5
[M+NH4]+	174.16009	156.8
[M+K]+	195.08943	138.4
[M+H-H2O]+	139.12353	129.9
[M+HCOO]-	201.12447	156.4
[M+CH3COO]-	215.14012	179.4
[M+Na-2H]-	177.10094	140.2
[M]+	156.12572	128.1
[M]-	156.12682	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe