CID 371828

Nsc646344

Structural Information

Molecular Formula

C₁₂H₁₈FNO₂

SMILES

COC(=O)NC12CC3CC(C1)CC(C3)(C2)F

InChI

InChI=1S/C12H18FNO2/c1-16-10(15)14-12-5-8-2-9(6-12)4-11(13,3-8)7-12/h8-9H,2-7H2,1H3,(H,14,15)

InChIKey

FNADVOSALLPLAC-UHFFFAOYSA-N

Compound name

methyl N-(3-fluoro-1-adamantyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.13216 Da
Monoisotopic Mass: 2.2
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]+	228.139436	152.3
[M+Na]+	250.121378	155.3
[M-H]-	226.124884	146.5
[M+NH4]+	245.165983	178.8
[M+K]+	266.095318	152.5
[M+H-H2O]+	210.129420	145.4
[M+HCOO]-	272.130361	159.0
[M+CH3COO]-	286.146011	160.8
[M+Na-2H]-	248.106826	163.5
[M]+	227.13161142	151.8
[M]-	227.13270858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.