CID 155978089

Tert-butyl n-[1-cyano-2-(pyridin-2-yl)ethyl]carbamate

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=N1)C#N
InChI
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-11(9-14)8-10-6-4-5-7-15-10/h4-7,11H,8H2,1-3H3,(H,16,17)
InChIKey
KUBXHCVZMIGRHR-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyano-2-pyridin-2-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 159.9
[M+Na]+ 270.12130 169.0
[M+NH4]+ 265.16590 162.5
[M+K]+ 286.09524 161.4
[M-H]- 246.12480 152.8
[M+Na-2H]- 268.10675 162.1
[M]+ 247.13153 158.1
[M]- 247.13263 158.1
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.