CID 206678

28460-09-5

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)C(=O)OC1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H23NO2/c1-6-16(7-2)14(17)18-13-10-8-12(9-11-13)15(3,4)5/h8-11H,6-7H2,1-5H3
InChIKey
WUOYUUHGJZHLCZ-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.5
[M+Na]+ 272.162098 166.3
[M-H]- 248.165604 165.3
[M+NH4]+ 267.206703 178.6
[M+K]+ 288.136038 165.7
[M+H-H2O]+ 232.170140 154.0
[M+HCOO]- 294.171081 182.8
[M+CH3COO]- 308.186731 201.3
[M+Na-2H]- 270.147546 163.9
[M]+ 249.17233142 164.4
[M]- 249.17342858 164.4
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

patents stripe