CID 97564

33024-39-4

Structural Information

Molecular Formula

C₁₁H₂₀FN₃O₂

SMILES

CC1(CCC(CC1)NC(=O)N(CCF)N=O)C

InChI

InChI=1S/C11H20FN3O2/c1-11(2)5-3-9(4-6-11)13-10(16)15(14-17)8-7-12/h9H,3-8H2,1-2H3,(H,13,16)

InChIKey

YKKMKHXIPGWYEP-UHFFFAOYSA-N

Compound name

3-(4,4-dimethylcyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 245.15396 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]+	246.16124	154.5
[M+Na]+	268.14318	158.2
[M-H]-	244.14668	158.5
[M+NH4]+	263.18778	174.0
[M+K]+	284.11712	158.9
[M+H-H2O]+	228.15122	147.0
[M+HCOO]-	290.15216	177.8
[M+CH3COO]-	304.16781	204.7
[M+Na-2H]-	266.12863	158.1
[M]+	245.15341	151.9
[M]-	245.15451	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.