CID 165965155

En300-1875171

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]+ 246.14887 162.8
[M+Na]+ 268.13081 171.0
[M-H]- 244.13431 164.6
[M+NH4]+ 263.17541 178.2
[M+K]+ 284.10475 167.2
[M+H-H2O]+ 228.13885 150.6
[M+HCOO]- 290.13979 178.9
[M+CH3COO]- 304.15544 202.7
[M+Na-2H]- 266.11626 165.5
[M]+ 245.14104 158.9
[M]- 245.14214 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.