CID 116861277

Tert-butyl n-(2-(3-fluorophenyl)-2-(methylamino)ethyl)carbamate

Structural Information

Molecular Formula
C14H21FN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC(=CC=C1)F)NC
InChI
InChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17-9-12(16-4)10-6-5-7-11(15)8-10/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKey
VBNWBEQAHRTXOR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-fluorophenyl)-2-(methylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16598 163.6
[M+Na]+ 291.14792 171.5
[M+NH4]+ 286.19252 169.2
[M+K]+ 307.12186 167.1
[M-H]- 267.15142 163.4
[M+Na-2H]- 289.13337 167.5
[M]+ 268.15815 164.3
[M]- 268.15925 164.3
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.