CID 198959

Urea, (1-methylcyclopentyl)-

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC1(CCCC1)NC(=O)N

InChI

InChI=1S/C7H14N2O/c1-7(9-6(8)10)4-2-3-5-7/h2-5H2,1H3,(H3,8,9,10)

InChIKey

SOPWCEFXKLAPKS-UHFFFAOYSA-N

Compound name

(1-methylcyclopentyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 142.11061 Da
Monoisotopic Mass: 0.4
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]+	143.117886	130.7
[M+Na]+	165.099828	136.0
[M-H]-	141.103334	133.5
[M+NH4]+	160.144433	154.8
[M+K]+	181.073768	135.3
[M+H-H2O]+	125.107870	125.8
[M+HCOO]-	187.108811	154.5
[M+CH3COO]-	201.124461	176.0
[M+Na-2H]-	163.085276	135.2
[M]+	142.11006142	125.3
[M]-	142.11115858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe