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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13944 152.3
[M+Na]+ 250.12138 155.3
[M-H]- 226.12488 146.5
[M+NH4]+ 245.16598 178.8
[M+K]+ 266.09532 152.5
[M+H-H2O]+ 210.12942 145.4
[M+HCOO]- 272.13036 159.0
[M+CH3COO]- 286.14601 160.8
[M+Na-2H]- 248.10683 163.5
[M]+ 227.13161 151.8
[M]- 227.13271 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.