CID 126806701

Tert-butyl n-[1-(3-cyanophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C1=CC=CC(=C1)C#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H18N2O2/c1-10(16-13(17)18-14(2,3)4)12-7-5-6-11(8-12)9-15/h5-8,10H,1-4H3,(H,16,17)
InChIKey
FYNADWYYWOQWAG-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-cyanophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 159.2
[M+Na]+ 269.12605 168.7
[M+NH4]+ 264.17065 162.4
[M+K]+ 285.09999 160.9
[M-H]- 245.12955 152.9
[M+Na-2H]- 267.11150 161.4
[M]+ 246.13628 157.8
[M]- 246.13738 157.8
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.