CID 83807

Fcnu

Structural Information

Molecular Formula

C₉H₁₆FN₃O₂

SMILES

C1CCC(CC1)NC(=O)N(CCF)N=O

InChI

InChI=1S/C9H16FN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)

InChIKey

SIJUHDYJDHLNLY-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 8
Patents: 217.12265 Da
Monoisotopic Mass: 2.6
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]+	218.12993	146.7
[M+Na]+	240.11187	149.3
[M-H]-	216.11537	150.4
[M+NH4]+	235.15647	164.9
[M+K]+	256.08581	150.2
[M+H-H2O]+	200.11991	138.1
[M+HCOO]-	262.12085	170.7
[M+CH3COO]-	276.13650	197.9
[M+Na-2H]-	238.09732	150.7
[M]+	217.12210	142.6
[M]-	217.12320	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe