CID 165965155

Tert-butyl n-[2-(but-3-yn-1-yl)phenyl]carbamate

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC#C
InChI
InChI=1S/C15H19NO2/c1-5-6-9-12-10-7-8-11-13(12)16-14(17)18-15(2,3)4/h1,7-8,10-11H,6,9H2,2-4H3,(H,16,17)
InChIKey
UIPKZDFNPCKKJR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-but-3-ynylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 162.8
[M+Na]+ 268.130808 171.0
[M-H]- 244.134314 164.6
[M+NH4]+ 263.175413 178.2
[M+K]+ 284.104748 167.2
[M+H-H2O]+ 228.138850 150.6
[M+HCOO]- 290.139791 178.9
[M+CH3COO]- 304.155441 202.7
[M+Na-2H]- 266.116256 165.5
[M]+ 245.14104142 158.9
[M]- 245.14213858 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.