CID 23224674

Tert-butyl n-[2-(2-cyanophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)(C)OC(=O)NCCC1=CC=CC=C1C#N
InChI
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-8-11-6-4-5-7-12(11)10-15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKey
WDNZFVXAIWZLHC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-cyanophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 162.3
[M+Na]+ 269.126048 170.2
[M-H]- 245.129554 165.3
[M+NH4]+ 264.170653 177.8
[M+K]+ 285.099988 167.7
[M+H-H2O]+ 229.134090 149.5
[M+HCOO]- 291.135031 180.8
[M+CH3COO]- 305.150681 206.7
[M+Na-2H]- 267.111496 166.1
[M]+ 246.13628142 158.9
[M]- 246.13737858 158.9
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.