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]+ 248.139356 161.5
[M+Na]+ 270.121298 168.3
[M-H]- 246.124804 162.7
[M+NH4]+ 265.165903 175.2
[M+K]+ 286.095238 166.6
[M+H-H2O]+ 230.129340 147.5
[M+HCOO]- 292.130281 178.0
[M+CH3COO]- 306.145931 206.1
[M+Na-2H]- 268.106746 165.4
[M]+ 247.13153142 157.1
[M]- 247.13262858 157.1
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.