CID 97468

33024-36-1

Structural Information

Molecular Formula

C₁₀H₁₈FN₃O₂

SMILES

CC1CCC(CC1)NC(=O)N(CCF)N=O

InChI

InChI=1S/C10H18FN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)

InChIKey

JHSQNRZJTAOPRU-UHFFFAOYSA-N

Compound name

1-(2-fluoroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 231.1383 Da
Monoisotopic Mass: 3.1
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]+	232.14558	152.2
[M+Na]+	254.12752	158.2
[M+NH4]+	249.17212	158.4
[M+K]+	270.10146	153.9
[M-H]-	230.13102	153.1
[M+Na-2H]-	252.11297	155.3
[M]+	231.13775	152.6
[M]-	231.13885	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe